Summary

IMPPAT Phytochemical identifier: IMPHY005132

Phytochemical name: Dendrophenol

Synonymous chemical names:
moscatilin

External chemical identifiers:
CID:176096, ChEMBL:CHEMBL374047, ZINC:ZINC000005999089, SureChEMBL:SCHEMBL18563068

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Chemical structure information

SMILES:
COc1cc(CCc2cc(OC)c(c(c2)OC)O)ccc1O

InChI:
InChI=1S/C17H20O5/c1-20-14-8-11(6-7-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3

InChIKey:
YTRAYUIKLRABOQ-UHFFFAOYSA-N

DeepSMILES:
COcccCCcccOC))ccc6)OC)))O)))))))ccc6O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 0.658

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Chemical structure download