EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:78255 - 3α-hydroxy-ent-sandaracopimaradiene

Default Structure
ChEBI IDCHEBI:78255
ChEBI Name3α-hydroxy-ent-sandaracopimaradiene
Stars
ASCII Name3alpha-hydroxy-ent-sandaracopimaradiene
DefinitionA tricyclic diterpenoid that is ent-sandaracopimaradiene bearing an additional hydroxy substituent at the 3α-position.
Last Modified8 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H32O
Net Charge0
Average Mass288.475
Monoisotopic Mass288.24532
SMILES[H][C@@]12CC[C@@](C)(C=C)C=C1CC[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m1/s1
InChIKeyATQOOBSXQVRQPY-GNVJSZRZSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3α-hydroxy-ent-sandaracopimaradiene (CHEBI:78255) has role plant metabolite (CHEBI:76924)
3α-hydroxy-ent-sandaracopimaradiene (CHEBI:78255) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name 
(3α,5β,9β,10α)-pimara-8(14),15-dien-3-ol
UniProt Name  Source
ent-sandaracopimaradien-3β-olUniProt
Manual XrefsDatabases
CPD-16610MetaCyc
Registry NumbersSources
Reaxys:5276845Reaxys
Citations