manool (CHEBI:76945)

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ChEBI Name	manool

ChEBI ID	CHEBI:76945

Definition	A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an R-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

Average Mass

290.48340

Monoisotopic Mass

290.26097

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-QGZVKYPTSA-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):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	manool (CHEBI:76945) has role antibacterial agent (CHEBI:33282) manool (CHEBI:76945) has role antineoplastic agent (CHEBI:35610) manool (CHEBI:76945) has role plant metabolite (CHEBI:76924) manool (CHEBI:76945) is a labdane diterpenoid (CHEBI:36770) manool (CHEBI:76945) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(3R)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol

Last Modified

22 January 2014