Summary

IMPPAT Phytochemical identifier: IMPHY001146

Phytochemical name: Kinobeon A

Synonymous chemical names:
kinobeon a

External chemical identifiers:
CID:10237057, ChEBI:175575, ZINC:ZINC000085990397

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Chemical structure information

SMILES:
COC1=C/C(=C/C=C/C=C/2C=C(OC)C(=O)C(=C2)OC)/C=C(C1=O)OC

InChI:
InChI=1S/C20H20O6/c1-23-15-9-13(10-16(24-2)19(15)21)7-5-6-8-14-11-17(25-3)20(22)18(12-14)26-4/h5-12H,1-4H3/b6-5+

InChIKey:
KQTQOJWCKLPTGL-AATRIKPKSA-N

DeepSMILES:
COC=C/C=C/C=C/C=CC=COC))C=O)C=C6)OC)))))))))))/C=CC6=O))OC

Functional groups:
COC1=CC(=C/C=C/C=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=CC=CC=C2C=CC(=O)C=C2)C=C1

Scaffold Graph/Node level:
OC1CCC(CCCCC2CCC(O)CC2)CC1

Scaffold Graph level:
CC1CCC(CCCCC2CCC(C)CC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 0.513

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Chemical structure download