Summary

IMPPAT Phytochemical identifier: IMPHY007626

Phytochemical name: Attenuol

Synonymous chemical names:
attenuol

External chemical identifiers:
CID:21772330, ZINC:ZINC000036649201

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Chemical structure information

SMILES:
C[C@@H]1Cc2cc3OCOc3cc2[C@@H]([C@H]1C)c1ccc(cc1)O

InChI:
InChI=1S/C19H20O3/c1-11-7-14-8-17-18(22-10-21-17)9-16(14)19(12(11)2)13-3-5-15(20)6-4-13/h3-6,8-9,11-12,19-20H,7,10H2,1-2H3/t11-,12+,19+/m1/s1

InChIKey:
DETVAFXBZLMAEB-UFYHVXEKSA-N

DeepSMILES:
C[C@@H]CcccOCOc5cc9[C@@H][C@H]%13C))cccccc6))O

Functional groups:
c1cOCO1, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCCc3cc4c(cc32)OCO4)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCC3CC4OCOC4CC32)CC1

Scaffold Graph level:
C1CCC(C2CCCC3CC4CCCC4CC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Aryltetralin lignans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Arylnaphthalene and aryltetralin lignans

NP-Likeness score: 1.576

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Chemical structure download