Summary

IMPPAT Phytochemical identifier: IMPHY012873

Phytochemical name: Lophirone A

Synonymous chemical names:
lophirone a

External chemical identifiers:
CID:5488805

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Chemical structure information

SMILES:
Oc1ccc(cc1)C(C(c1coc2c(c1=O)ccc(c2)O)C(=O)c1ccc(cc1O)O)c1ccc(cc1)O

InChI:
InChI=1S/C30H22O8/c31-18-5-1-16(2-6-18)27(17-3-7-19(32)8-4-17)28(30(37)22-11-9-20(33)13-25(22)35)24-15-38-26-14-21(34)10-12-23(26)29(24)36/h1-15,27-28,31-35H

InChIKey:
ZPIXFZZVVJUNDO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCccoccc6=O))cccc6)O)))))))))C=O)cccccc6O)))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

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.842

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Chemical structure download