CHEBI:141820 - 3β-hydroxy-15,16-epoxydolabrene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β-hydroxy-15,16-epoxydolabrene
ChEBI ID CHEBI:141820
ChEBI ASCII Name 3beta-hydroxy-15,16-epoxydolabrene
Definition A tricyclic diterpenoid that is 15,16-epoxydolabrene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H32O2
Net Charge 0
Average Mass 304.468
Monoisotopic Mass 304.24023
InChI InChI=1S/C20H32O2/c1-13-15(21)5-6-16-19(13,3)8-7-14-11-18(2,17-12-22-17)9-10-20(14,16)4/h14-17,21H,1,5-12H2,2-4H3/t14-,15+,16-,17?,18+,19-,20-/m1/s1
InChIKey JPGKQPWEFBWKDM-XVMBTQODSA-N
SMILES [C@@]12([C@]3([C@](CC[C@@]1(C[C@@](CC2)(C)C4CO4)[H])(C([C@H](CC3)O)=C)C)[H])C
ChEBI Ontology
Outgoing 3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) has functional parent 15,16-epoxydolabrene (CHEBI:141821)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) is a epoxide (CHEBI:32955)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) is a secondary allylic alcohol (CHEBI:134396)
3β-hydroxy-15,16-epoxydolabrene (CHEBI:141820) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name
(2S,4aS,4bR,7S,8aR,10aS)-4b,7,10a-trimethyl-1-methylidene-7-[(2Ξ)-oxiran-2-yl]tetradecahydrophenanthren-2-ol
Synonym Source
3β-hydroxy-15,16-epoxydolabrene UniProt
Manual Xref Database
CPD-21267 MetaCyc
View more database links
Citation Waiting for Citations Type Source
29475898 PubMed citation SUBMITTER
Last Modified
05 October 2018