Summary

IMPPAT Phytochemical identifier: IMPHY011462

Phytochemical name: Sylvatine

Synonymous chemical names:
sylvatin, sylvatine

External chemical identifiers:
CID:90472536

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Chemical structure information

SMILES:
CC(CCC/C=C/CCCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C

InChI:
InChI=1S/C24H33NO3/c1-20(2)12-8-6-4-3-5-7-11-17-25-24(26)14-10-9-13-21-15-16-22-23(18-21)28-19-27-22/h3-4,9-10,13-16,18,20H,5-8,11-12,17,19H2,1-2H3,(H,25,26)/b4-3+,13-9+,14-10+

InChIKey:
URFYPQQKBYOWIX-UDNGMWKQSA-N

DeepSMILES:
CCCCC/C=C/CCCCNC=O)/C=C/C=C/cccccc6)OCO5)))))))))))))))))))))))C

Functional groups:
C/C=C/C, c/C=C/C=C/C(=O)NC, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
C1CCC2OCOC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzodioxoles

NP-Likeness score: 0.74

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Chemical structure download