Summary

IMPPAT Phytochemical identifier: IMPHY007863

Phytochemical name: Dalcriodain

Synonymous chemical names:
dalcriodain

External chemical identifiers:
CID:90477413

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Chemical structure information

SMILES:
C=CC(c1ccccc1O)c1cc(OC(C(C2=CC(=O)C(=CC2=O)OC)C)c2ccccc2)c(cc1OC)OC

InChI:
InChI=1S/C33H32O7/c1-6-22(23-14-10-11-15-26(23)34)25-17-32(31(39-5)19-29(25)37-3)40-33(21-12-8-7-9-13-21)20(2)24-16-28(36)30(38-4)18-27(24)35/h6-20,22,33-34H,1H2,2-5H3

InChIKey:
IHOXKYWFPSIUHB-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6O)))))))cccOCCC=CC=O)C=CC6=O)))OC))))))C))cccccc6))))))))ccc6OC))))OC

Functional groups:
C=CC, COC1=CC(=O)C(C)=CC1=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C(CC(Oc2cccc(Cc3ccccc3)c2)c2ccccc2)=C1

Scaffold Graph/Node level:
OC1CCC(O)C(CC(OC2CCCC(CC3CCCCC3)C2)C2CCCCC2)C1

Scaffold Graph level:
CC1CCC(C)C(CC(CC2CCCC(CC3CCCCC3)C2)C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylmethanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Open-chained neoflavonoids

NP-Likeness score: 0.921

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Chemical structure download