Summary

IMPPAT Phytochemical identifier: IMPHY001736

Phytochemical name: nobilin D

Synonymous chemical names:
nobilin d

External chemical identifiers:
CID:16104870, ChEMBL:CHEMBL219065

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Chemical structure information

SMILES:
COc1cc(ccc1O)CC(c1cc(OC)c(c(c1)OC)O)O

InChI:
InChI=1S/C17H20O6/c1-21-14-7-10(4-5-12(14)18)6-13(19)11-8-15(22-2)17(20)16(9-11)23-3/h4-5,7-9,13,18-20H,6H2,1-3H3

InChIKey:
SCNNIVKGPABBOM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))))CCcccOC))ccc6)OC)))O)))))O

Functional groups:
CO, 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: Lignans

NP Classifier Class: Minor lignans

NP-Likeness score: 0.809

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Chemical structure download