Calanolide F (CHEBI:65555)

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ChEBI Name	Calanolide F

ChEBI ID	CHEBI:65555

Definition	A natural product found in Calophyllum lanigerum var austrocoriaceum and Calophyllum teysmannii var inophylloide.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C22H26O5

Net Charge

Average Mass

370.43880

Monoisotopic Mass

370.17802

InChI

InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18+/m1/s1

InChIKey

NIDRYBLTWYFCFV-SOZUMNATSA-N

SMILES

CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@H](C)Oc3c3C=CC(C)(C)Oc3c12

Metabolite of Species	Details
Calophyllum lanigerum var. austrocoriaceum (IPNI:876292-1)	Found in stem (BTO:0001300). Previous component: stem bark; See: PubMed
Calophyllum teysmannii var. inophylloide (IPNI:876299-1)	Found in stem (BTO:0001300). Previous component: stem bark; 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.

ChEBI Ontology
Outgoing	Calanolide F (CHEBI:65555) has role metabolite (CHEBI:25212) Calanolide F (CHEBI:65555) is a coumarins (CHEBI:23403)

Synonyms	Sources
(10S,11S,12S)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one	ChEBI
2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')pyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-,(10S,11S,12S)-	ChEBI
2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10S-(10alpha,11alpha,12beta))-	ChEBI

Citation	Type	Source
8792623	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:chromenes(CHEBI:23232); ISA:1-benzopyran(CHEBI:38443); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000);