CHEBI:70665 - (+)-boehmenan X

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ChEBI Name (+)-boehmenan X
ChEBI ID CHEBI:70665
Definition A natural product found in Durio carinatus and Durio oxleyanus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H38O11
Net Charge 0
Average Mass 682.71240
Monoisotopic Mass 682.24141
InChI InChI=1S/C39H38O11/c1-45-33-20-25(8-14-31(33)41)10-17-36(43)48-18-4-5-26-19-29-30(23-49-37(44)16-9-24-6-12-28(40)13-7-24)38(50-39(29)35(21-26)47-3)27-11-15-32(42)34(22-27)46-2/h6-17,19-22,30,38,40-42H,4-5,18,23H2,1-3H3/b16-9+,17-10+/t30-,38+/m1/s1
InChIKey KXKFYMOZFCYESW-PSQUMQRJSA-N
SMILES COc1cc(\C=C\C(=O)OCCCc2cc(OC)c3O[C@H]([C@H](COC(=O)\C=C\c4ccc(O)cc4)c3c2)c2ccc(O)c(OC)c2)ccc1O
Metabolite of Species Details
Durio oxleyanus (NCBI:txid117662) Found in bark (BTO:0001301). Chloroform soluble components of methanolic extract of bark See: DOI
Durio carinatus (NCBI:txid140961) Found in stem (BTO:0001300). Previous component: stem bark; Methanol-soluble extract of macerated, powdered stem bark See: DOI
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 (+)-boehmenan X (CHEBI:70665) has role metabolite (CHEBI:25212)
(+)-boehmenan X (CHEBI:70665) is a benzofurans (CHEBI:35259)
Synonym Source
(+)-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenylpropanoid(CHEBI:26004); ISA:benzofurans(CHEBI:35259); ISA:cinnamate ester(CHEBI:36087); ISA:hydroxycinnamic acid(CHEBI:24689); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:aromatic ether(CHEBI:35618); ISA:dicarboxylic acid(CHEBI:35692); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);