Summary

IMPPAT Phytochemical identifier: IMPHY011502

Phytochemical name: gamma-Diasarone

Synonymous chemical names:
diasarone 2

External chemical identifiers:
CID:22274848, SureChEMBL:SCHEMBL5280061

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Chemical structure information

SMILES:
COc1cc(OC)c(cc1C1c2c(OC)c(OC)cc(c2C(C1C)CC)OC)OC

InChI:
InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3

InChIKey:
ZPOQFZFDKXZAGL-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6CccOC))cOC))ccc6CC9C))CC))))OC))))))))))OC

Functional groups:
cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc32)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC32)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Minor lignans

NP-Likeness score: 0.566

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Chemical structure download