Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009198

Phytochemical name: Eryvariestyrene

Synonymous chemical names:
Eryvariestyrene, eryvariestyrene

External chemical identifiers:
CID:CID_14630590, ZINC:ZINC000015204408

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Chemical structure information

SMILES:
CC(=CCc1cc(C/C=C/c2ccccc2)c(cc1O)O)C

InChI:
InChI=1S/C20H22O2/c1-15(2)11-12-18-13-17(19(21)14-20(18)22)10-6-9-16-7-4-3-5-8-16/h3-9,11,13-14,21-22H,10,12H2,1-2H3/b9-6+

InChIKey:
RCSFMPXDKAMTJI-RMKNXTFCSA-N

DeepSMILES:
CC=CCcccC/C=C/cccccc6)))))))))ccc6O)))O)))))))C

Functional groups:
CC=C(C)C, c/C=C/C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)Cc1ccccc1

Scaffold Graph/Node level:
C1CCC(CCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Cinnamylphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamoyl phenols

NP-Likeness score: 1.457

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Chemical structure download