CHEBI:76944 - 13-epi-manool

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ChEBI Name 13-epi-manool
ChEBI ID CHEBI:76944
ChEBI ASCII Name 13-epi-manool
Definition A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an S-hydroxy group at position 13.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C20H34O
Net Charge 0
Average Mass 290.48340
Monoisotopic Mass 290.261
InChI InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1
InChIKey CECREIRZLPLYDM-RAUXBKROSA-N
SMILES C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13-epi-manool (CHEBI:76944) has role antifungal agent (CHEBI:35718)
13-epi-manool (CHEBI:76944) has role metabolite (CHEBI:25212)
13-epi-manool (CHEBI:76944) is a labdane diterpenoid (CHEBI:36770)
13-epi-manool (CHEBI:76944) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(3S)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol
Synonyms Sources
(13S)-labda-8(17),14-dien-13-ol ChEBI
(13S)-manool ChEBI
(5S,9S,10S,13S)-labda-8(17),14-dien-13-ol ChEBI
13-epi-manool UniProt
labda-8(17),14-dien-13(S)-ol ChEBI
Manual Xref Database
CPD-14029 MetaCyc
View more database links
Registry Number Type Source
2054966 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14558770 PubMed citation Europe PMC
21290071 PubMed citation SUBMITTER
22129092 PubMed citation Europe PMC
Last Modified
22 January 2014