Summary

IMPPAT Phytochemical identifier: IMPHY000164

Phytochemical name: Amoradicin

Synonymous chemical names:
amoradicin

External chemical identifiers:
CID:11178127

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Chemical structure information

SMILES:
COc1c(CC=C(C)C)c2OC(CC(=O)c2c(c1CC=C(C)C)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C26H30O6/c1-14(2)6-9-17-24(30)23-21(29)13-22(16-8-11-19(27)20(28)12-16)32-26(23)18(25(17)31-5)10-7-15(3)4/h6-8,11-12,22,27-28,30H,9-10,13H2,1-5H3

InChIKey:
JYYYAFQRQMMXDY-UHFFFAOYSA-N

DeepSMILES:
COccCC=CC)C))))cOCCC=O)c6cc%10CC=CC)C)))))O)))))cccccc6)O))O

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: 1.935

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Chemical structure download