Summary

IMPPAT Phytochemical identifier: IMPHY007786

Phytochemical name: Chamaechromone

Synonymous chemical names:
chamaechromone

External chemical identifiers:
CID:12084958, MolPort-021-804-802

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Chemical structure information

SMILES:
Oc1ccc(cc1)C(C(c1coc2c(c1=O)c(O)cc(c2)O)C(=O)c1c(O)cc(cc1O)O)c1ccc(cc1)O

InChI:
InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)25(15-3-7-17(32)8-4-15)26(30(39)27-21(35)9-18(33)10-22(27)36)20-13-40-24-12-19(34)11-23(37)28(24)29(20)38/h1-13,25-26,31-37H

InChIKey:
KLKLIUIRQAMTAJ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCccoccc6=O))cO)ccc6)O)))))))))C=O)ccO)cccc6O)))O)))))))cccccc6))O

Functional groups:
c=O, cC(C)=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccccc1)C(c1coc2ccccc2c1=O)C(c1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2OCC1C(C(O)C1CCCCC1)C(C1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC1C2CCCCC2CCC1C(C(C)C1CCCCC1)C(C1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Chromanes, Flavonoids

NP Classifier Class: Chalcones, Chromones

NP-Likeness score: 1.02

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Chemical structure download