CHEBI:66763 - Plectranthol A

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ChEBI Name Plectranthol A
ChEBI ID CHEBI:66763
Definition A natural product found in Plectranthus nummularius.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H30O6
Net Charge 0
Average Mass 450.52350
Monoisotopic Mass 450.20424
InChI InChI=1S/C27H30O6/c1-15(2)18-12-16-9-11-27(4)19(22(16)24(31)23(18)30)6-5-10-26(27,3)14-33-25(32)17-7-8-20(28)21(29)13-17/h6-9,11-13,15,28-31H,5,10,14H2,1-4H3/t26-,27+/m1/s1
InChIKey VIWAYXHMGDZRSR-SXOMAYOGSA-N
SMILES CC(C)c1cc2C=C[C@@]3(C)C(=CCC[C@]3(C)COC(=O)c3ccc(O)c(O)c3)c2c(O)c1O
Metabolite of Species Details
Plectranthus nummularius (IPNI:454595-1) Found in leaf (BTO:0000713). Fresh leaves 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Plectranthol A (CHEBI:66763) has role metabolite (CHEBI:25212)
Plectranthol A (CHEBI:66763) is a diterpenoid (CHEBI:23849)
Synonyms Sources
19-O-(3,4-dihydroxybenzoyl)-11,12-dihydroxy-20(10->5)-abeo-abieta-1(10),6,8,11,13-tetraene ChEBI
[(1S,10aS)-5,6-Dihydroxy-7-isopropyl-1,10a-dimethyl-1,2,3,10a-tetrahydro-1-phenanthrenyl]methyl 3,4-dihydroxybenzoate ChEBI
Citation Waiting for Citations Type Source
11558608 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenanthrenes(CHEBI:25961); ISA:naphthalenes(CHEBI:25477); ISA:benzoate ester(CHEBI:36054); ISA:hydroxybenzoic acid(CHEBI:24676); ISA:benzyl ether(CHEBI:59859); ISA:alkylbenzene(CHEBI:38976); ISA:carbonyl compound(CHEBI:36586); ISA:catechols(CHEBI:33566); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:monocarboxylic acid(CHEBI:25384); ISA:aromatic alcohol(CHEBI:33854);