Summary

IMPPAT Phytochemical identifier: IMPHY000149

Phytochemical name: Arachidin-1

Synonymous chemical names:
(e,e)-arachidin i

External chemical identifiers:
CID:11220670, ChEMBL:CHEMBL2230262, ZINC:ZINC000103213304, SureChEMBL:SCHEMBL18268151

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Chemical structure information

SMILES:
CC(/C=C/c1c(O)cc(cc1O)/C=C/c1ccc(c(c1)O)O)C

InChI:
InChI=1S/C19H20O4/c1-12(2)3-7-15-17(21)10-14(11-18(15)22)5-4-13-6-8-16(20)19(23)9-13/h3-12,20-23H,1-2H3/b5-4+,7-3+

InChIKey:
YOWZUITYQFPEGQ-JLVHPEPXSA-N

DeepSMILES:
CC/C=C/ccO)cccc6O)))/C=C/cccccc6)O))O)))))))))))))C

Functional groups:
c/C=C/C, c/C=C/c, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

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: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 1.143

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Chemical structure download