Summary

IMPPAT Phytochemical identifier: IMPHY012544

Phytochemical name: Broussonin C

Synonymous chemical names:
broussonin c

External chemical identifiers:
CID:442289, ChEMBL:CHEMBL468906, ChEBI:3186, ZINC:ZINC000000898642, SureChEMBL:SCHEMBL23268429, MolPort-039-052-705

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Chemical structure information

SMILES:
CC(=CCc1cc(CCCc2ccc(cc2O)O)ccc1O)C

InChI:
InChI=1S/C20H24O3/c1-14(2)6-8-17-12-15(7-11-19(17)22)4-3-5-16-9-10-18(21)13-20(16)23/h6-7,9-13,21-23H,3-5,8H2,1-2H3

InChIKey:
CMOZGCJOTGLPKO-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccCCCcccccc6O)))O))))))))ccc6O)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCCc2ccccc2)cc1

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: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.462

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Chemical structure download