CHEBI:67697 - (−)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one

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ChEBI Name (−)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one
ChEBI ID CHEBI:67697
ChEBI ASCII Name (-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one
Definition A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H34O4
Net Charge 0
Average Mass 422.55650
Monoisotopic Mass 422.24571
InChI InChI=1S/C27H34O4/c1-16-11-12-20-21(26(20,4)5)14-17(2)24(29)27(15-18(3)23(28)22(27)13-16)31-25(30)19-9-7-6-8-10-19/h6-10,13-14,18,20-23,28H,11-12,15H2,1-5H3/b16-13+,17-14+/t18-,20-,21+,22-,23-,27+/m0/s1
InChIKey JQVANXRIXMMSKB-LXZIDKIQSA-N
SMILES C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@@H](\C=C(C)\CC[C@H]3[C@@H](\C=C(C)\C2=O)C3(C)C)[C@H]1O
Metabolite of Species Details
Euphorbia micractina (IPNI:347344-1) Found in root (BTO:0001188). Ethanolic extract of roots See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via lathyrane diterpenoid )
Application(s): vasodilator agent
A drug used to cause dilation of the blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one (CHEBI:67697) has role vasodilator agent (CHEBI:35620)
(−)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one (CHEBI:67697) is a benzoate ester (CHEBI:36054)
(−)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one (CHEBI:67697) is a lathyrane diterpenoid (CHEBI:85247)
IUPAC Name
(1aR,2E,4aR,6S,7S,7aS,8E,11aS)-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1,1a,4,5,6,7,7a,10,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a-yl benzoate
Registry Number Type Source
21556523 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21534583 PubMed citation Europe PMC
Last Modified
17 March 2015