Summary

IMPPAT Phytochemical identifier: IMPHY001303

Phytochemical name: Dalbergiphenol

Synonymous chemical names:
dalbergiphenol

External chemical identifiers:
CID:44446855, ChEMBL:CHEMBL252862

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Chemical structure information

SMILES:
C=C[C@H](c1cc(O)c(cc1OC)OC)c1ccccc1

InChI:
InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m0/s1

InChIKey:
SLLCQEPKLKMZKP-ZDUSSCGKSA-N

DeepSMILES:
C=C[C@H]cccO)ccc6OC))))OC))))))cccccc6

Functional groups:
C=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylmethanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamoyl phenols

NP-Likeness score: 1.042

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Chemical structure download