Summary

IMPPAT Phytochemical identifier: IMPHY008403

Phytochemical name: Munsericin

Synonymous chemical names:
munsericin

External chemical identifiers:
CID:10403843

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)/C=C/C(=O)c1ccc2c(c1)C=CC(O2)(C)C

InChI:
InChI=1S/C20H18O4/c1-20(2)10-9-15-11-14(5-8-19(15)24-20)17(22)7-4-13-3-6-16(21)12-18(13)23/h3-12,21,23H,1-2H3/b7-4+

InChIKey:
CKEDEFCTCYZPGM-QPJJXVBHSA-N

DeepSMILES:
Occcccc6)O))/C=C/C=O)cccccc6)C=CCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.524

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Chemical structure download