CHEBI:66025 - 7α-hydroperoxy manool

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ChEBI Name 7α-hydroperoxy manool
ChEBI ID CHEBI:66025
ChEBI ASCII Name 7alpha-hydroperoxy manool
Definition A labdane diterpenoid that is labda-8(17),14-diene substituted by a (R)-hydroxy group at position 13 and an α-hydroperoxy group at position 7. Isolated from the aerial parts of Aster spathulifolius, it exhibits moderate cytotoxicity against human cancer cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H34O3
Net Charge 0
Average Mass 322.48220
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-7-19(5,21)12-9-15-14(2)16(23-22)13-17-18(3,4)10-8-11-20(15,17)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16+,17-,19-,20+/m0/s1
InChIKey FVWMAXFFGJNFQF-SQIBXOBRSA-N
SMILES [H][C@@]12C[C@@H](OO)C(=C)[C@H](CC[C@@](C)(O)C=C)[C@@]1(C)CCCC2(C)C
Metabolite of Species Details
Aster sp.thulifolius (NCBI:txid947974) Found in aerial part (BTO:0001658). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7α-hydroperoxy manool (CHEBI:66025) has role antineoplastic agent (CHEBI:35610)
7α-hydroperoxy manool (CHEBI:66025) has role metabolite (CHEBI:25212)
7α-hydroperoxy manool (CHEBI:66025) is a labdane diterpenoid (CHEBI:36770)
7α-hydroperoxy manool (CHEBI:66025) is a peroxol (CHEBI:35924)
7α-hydroperoxy manool (CHEBI:66025) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(3R)-5-[(1R,3R,4aS,8aS)-3-hydroperoxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
Synonym Source
7α-hydroperoxy-labda-8(17),14-dien-13(R)-ol ChEBI
Citation Waiting for Citations Type Source
17121178 PubMed citation Europe PMC
Last Modified
21 February 2013