Summary

IMPPAT Phytochemical identifier: IMPHY013226

Phytochemical name: Erythynone

Synonymous chemical names:
erythynone

External chemical identifiers:
CID:14704460

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Chemical structure information

SMILES:
COc1cc2C(=O)C3C(Oc2c2c1OC(C)(C)C=C2)COc1c3cc(OC)c(c1)OC

InChI:
InChI=1S/C24H24O7/c1-24(2)7-6-12-22-14(9-18(28-5)23(12)31-24)21(25)20-13-8-16(26-3)17(27-4)10-15(13)29-11-19(20)30-22/h6-10,19-20H,11H2,1-5H3

InChIKey:
MFTMKRIDUBXOMI-UHFFFAOYSA-N

DeepSMILES:
COcccC=O)CCOc6cc%10OCC)C)C=C6))))))))COcc6ccOC))cc6)OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccc3c(c2OC2COc4ccccc4C12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCC3OCCCC3C2OC2COC3CCCCC3C21

Scaffold Graph level:
CC1C2CCC3CCCCC3C2CC2CCC3CCCCC3C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Rotenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Rotenoids

NP-Likeness score: 2.211

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Chemical structure download