Summary

IMPPAT Phytochemical identifier: IMPHY000487

Phytochemical name: Sissoidenone

Synonymous chemical names:
sissoidenone

Chemical structure information

SMILES:
COc1ccccc1/C(=C/C(=O)C)/C1=CC(=O)C(=CC1=O)O

InChI:
InChI=1S/C17H14O5/c1-10(18)7-12(11-5-3-4-6-17(11)22-2)13-8-15(20)16(21)9-14(13)19/h3-9,21H,1-2H3/b12-7-

InChIKey:
CQMUZPHVQSGBFX-GHXNOFRVSA-N

DeepSMILES:
COcccccc6/C=C/C=O)C)))/C=CC=O)C=CC6=O)))O

Functional groups:
c/C(=C/C(C)=O)C1=CC(=O)C(O)=CC1=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C(C1=CC(=O)C=CC1=O)c1ccccc1

Scaffold Graph/Node level:
CC(C1CCCCC1)C1CC(O)CCC1O

Scaffold Graph level:
CC1CCC(C)C(C(C)C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP-Likeness score: 0.749

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Chemical structure download