Summary

IMPPAT Phytochemical identifier: IMPHY003444

Phytochemical name: Crotaramosmin

Synonymous chemical names:
crotaramosmin

External chemical identifiers:
CID:42607840

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Chemical structure information

SMILES:
CC(=CCc1ccc2c(c1O)C(=O)CC(O2)c1ccc(cc1)O)C

InChI:
InChI=1S/C20H20O4/c1-12(2)3-4-14-7-10-17-19(20(14)23)16(22)11-18(24-17)13-5-8-15(21)9-6-13/h3,5-10,18,21,23H,4,11H2,1-2H3

InChIKey:
DTZBWBKUXVNGMX-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccccc6O))C=O)CCO6)cccccc6))O)))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.982

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Chemical structure download