CHEBI:67698 - (−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one
ChEBI ID CHEBI:67698
ChEBI ASCII Name (-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-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
Download Molfile XML SDF
Formula C29H36O5
Net Charge 0
Average Mass 464.59310
Monoisotopic Mass 464.25627
InChI InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1
InChIKey BFKWILVOTONIQI-NXMQWNJLSA-N
SMILES C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)\C=C\c1ccccc1)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one (CHEBI:67698) is a cinnamate ester (CHEBI:36087)
(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one (CHEBI:67698) is a lathyrane diterpenoid (CHEBI:85247)
(−)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-cinnamoyloxylathyra-6,12-diene-5,15-diol-14-one (CHEBI:67698) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
(1aR,2E,4aR,6S,7S,7aS,9Z,11aS)-4a,8-dihydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,8,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl (2E)-3-phenylprop-2-enoate
Registry Number Type Source
21556531 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21534583 PubMed citation Europe PMC
Last Modified
06 February 2018