CHEBI:138968 - ent-cassa-12,15-dien-2β,3β-diol

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ChEBI Name ent-cassa-12,15-dien-2β,3β-diol
ChEBI ID CHEBI:138968
ChEBI ASCII Name ent-cassa-12,15-dien-2beta,3beta-diol
Definition A diterpenoid that is ent-cassa-12,15-diene in which the hydrogens at positions 2β and 3β have been replaced by hydroxy groups.
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/c1-6-13-7-9-15-14(12(13)2)8-10-17-19(3,4)18(22)16(21)11-20(15,17)5/h6-7,12,14-18,21-22H,1,8-11H2,2-5H3/t12-,14-,15-,16-,17-,18-,20+/m1/s1
InChIKey FMPZXFBEGPUMKF-HUIUSYGUSA-N
SMILES [C@@H]1(C([C@@]2([H])CC[C@@]3([C@@H](C(=CC[C@@]3([H])[C@@]2(C[C@H]1O)C)C=C)C)[H])(C)C)O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) has role plant metabolite (CHEBI:76924)
ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) is a diol (CHEBI:23824)
ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) is a diterpenoid (CHEBI:23849)
ent-cassa-12,15-dien-2β,3β-diol (CHEBI:138968) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2α,3α,5β,8α,9β,10α,14β)-13-ethenyl-14-methylpodocarp-12-ene-2,3-diol
Synonym Source
ent-cassa-12,15-dien-2β,3β-ol UniProt
Manual Xref Database
CPD-20413 MetaCyc
View more database links
Citation Waiting for Citations Type Source
25758958 PubMed citation SUBMITTER
Last Modified
16 January 2018