Summary

IMPPAT Phytochemical identifier: IMPHY005035

Phytochemical name: Dalbergichromene

Synonymous chemical names:
dalbergichromene

External chemical identifiers:
CID:5316291, ChEMBL:CHEMBL3289674

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Chemical structure information

SMILES:
COc1cc2OCC=C(c2cc1O)c1ccccc1

InChI:
InChI=1S/C16H14O3/c1-18-16-10-15-13(9-14(16)17)12(7-8-19-15)11-5-3-2-4-6-11/h2-7,9-10,17H,8H2,1H3

InChIKey:
WZIKSEWGSSYQHA-UHFFFAOYSA-N

DeepSMILES:
COcccOCC=Cc6cc%10O))))cccccc6

Functional groups:
cC(c)=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C(c2ccccc2)c2ccccc2OC1

Scaffold Graph/Node level:
C1CCC(C2CCOC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(C2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Neoflavonoids

ClassyFire Subclass: Neoflavenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP-Likeness score: 1.42

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Chemical structure download