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Deserpidine

UUID 58eebc28-3344-4a11-8036-99df8d2322b3
Flow Object IDfo-d73875ee65e77abe
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 131-01-1
EC Numbers 205-004-8
prefLabel
Language Value Provenance
en Deserpidine
altLabel
Language Value Provenance
en (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester
en 11-demethoxyreserpine
en 11-desmethoxyreserpine
en Harmonyl
en Raunormine
en canescine
en methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
en recanescine
en (-)-Deserpidine
en 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-17α-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
en Benz[<em>g</em>]indolo[2,3-<em>a</em>]quinolizine, yohimban-16-carboxylic acid deriv.
en Canescin
en Canescine (Rauwolfia)
en Deserpic acid, methyl ester, 3,4,5-trimethoxybenzoate
en Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate
en Deserpidin
en NSC 72138
en Raunormin
en Recanescin
en Reserpidine
en Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CVBMAZKKCSYWQR-WCGOZPBSSA-N
InChI InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
IUPAC name (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester, (1R,15S,17R,18R,19S,20S)-18-methoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester, methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxyphenyl)carbonyloxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular formula C32H38N2O8
Molecular mass 578.662
Monoisotopic mass 578.26282
SMILES COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC, CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC, [H][C@]12C[C@@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@]1([H])c3nc4ccccc4c3CCN1C2

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 58eebc28-3344-4a11-8036-99df8d2322b3 deserpidine

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 deserpidine Emissions/Emissions to air/Emissions to air, indoor kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=deserpidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=131-01-1; added Common Chemistry CAS names as altLabel: (-)-Deserpidine, 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-17α-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), Benz[<em>g</em>]indolo[2,3-<em>a</em>]quinolizine, yohimban-16-carboxylic acid deriv., Canescin, Canescine (Rauwolfia), Deserpic acid, methyl ester, 3,4,5-trimethoxybenzoate, Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate, Deserpidin, NSC 72138, Raunormin, Recanescin, Reserpidine, Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-; object_uuid=fo-d73875ee65e77abe
cas_match_labels 1 consensus_match group_key=deserpidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'131-01-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d73875ee65e77abe: {'131-01-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '11-demethoxyreserpine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11-demethoxyreserpine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '11-desmethoxyreserpine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11-desmethoxyreserpine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Harmonyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Harmonyl', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Raunormine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Raunormine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'canescine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:canescine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'recanescine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:recanescine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '11-demethoxyreserpine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11-demethoxyreserpine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '11-desmethoxyreserpine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11-desmethoxyreserpine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Harmonyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Harmonyl', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Raunormine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Raunormine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'canescine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:canescine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'recanescine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:recanescine', 'http://purl.obolibrary.org/obo/CHEBI_27478', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Deserpidine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-17α-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benz[<em>g</em>]indolo[2,3-<em>a</em>]quinolizine, yohimban-16-carboxylic acid deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Canescin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Canescine (Rauwolfia)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Deserpic acid, methyl ester, 3,4,5-trimethoxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Deserpidin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 72138', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Raunormin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Recanescin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reserpidine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:131-01-1', 'https://commonchemistry.cas.org/detail?cas_rn=131-01-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=deserpidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=131-01-1; added Common Chemistry CAS names as altLabel: (-)-Deserpidine, 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-17α-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), Benz[<em>g</em>]indolo[2,3-<em>a</em>]quinolizine, yohimban-16-carboxylic acid deriv., Canescin, Canescine (Rauwolfia), Deserpic acid, methyl ester, 3,4,5-trimethoxybenzoate, Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate, Deserpidin, NSC 72138, Raunormin, Recanescin, Reserpidine, Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-; object_uuid=fo-d73875ee65e77abe
cas_match_labels None {'131-01-1': 'exactMatch'} group_key=deserpidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'131-01-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d73875ee65e77abe: {'131-01-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "58eebc28-3344-4a11-8036-99df8d2322b3",
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to air, indoor"
        ]
      }
    }
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  "prefLabel": [
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