CHEBI:67704 - 15β-O-benzoyl-5alpha-hydroxyisolathyrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 15β-O-benzoyl-5alpha-hydroxyisolathyrol
ChEBI ID CHEBI:67704
ChEBI ASCII Name 15beta-O-benzoyl-5alpha-hydroxyisolathyrol
Definition A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H34O5
Net Charge 0
Average Mass 438.55590
Monoisotopic Mass 438.24062
InChI InChI=1S/C27H34O5/c1-15-11-12-19-20(26(19,4)5)13-16(2)24(30)27(14-17(3)23(29)21(27)22(15)28)32-25(31)18-9-7-6-8-10-18/h6-11,13,17,19-23,28-29H,12,14H2,1-5H3/b15-11-,16-13+/t17-,19-,20+,21-,22+,23-,27+/m0/s1
InChIKey LIXVTMWBYCIOIH-MMJPDQHMSA-N
SMILES C[C@H]1C[C@@]2(OC(=O)c3ccccc3)[C@H]([C@H]1O)[C@H](O)\C(C)=C/C[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
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 15β-O-benzoyl-5alpha-hydroxyisolathyrol (CHEBI:67704) has role vasodilator agent (CHEBI:35620)
15β-O-benzoyl-5alpha-hydroxyisolathyrol (CHEBI:67704) is a benzoate ester (CHEBI:36054)
15β-O-benzoyl-5alpha-hydroxyisolathyrol (CHEBI:67704) is a lathyrane diterpenoid (CHEBI:85247)
IUPAC Name
(1aR,2E,4aR,6S,7S,7aR,8S,9Z,11aS)-7,8-dihydroxy-1,1,3,6,9-pentamethyl-4-oxo-1,1a,4,5,6,7,7a,8,11,11a-decahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a-yl benzoate
Registry Number Type Source
7152409 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21534583 PubMed citation Europe PMC
Last Modified
17 March 2015