Summary

IMPPAT Phytochemical identifier: IMPHY007564

Phytochemical name: Longistyline A

Synonymous chemical names:
longistylin a

External chemical identifiers:
CID:9900754, SureChEMBL:SCHEMBL6230110

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Chemical structure information

SMILES:
COc1cc(/C=C/c2ccccc2)cc(c1CC=C(C)C)O

InChI:
InChI=1S/C20H22O2/c1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h4-11,13-14,21H,12H2,1-3H3/b11-10+

InChIKey:
MPDBOKIOROLWQP-ZHACJKMWSA-N

DeepSMILES:
COccc/C=C/cccccc6))))))))ccc6CC=CC)C)))))O

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

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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: 1.266

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Chemical structure download