Summary

IMPPAT Phytochemical identifier: IMPHY013469

Phytochemical name: Ventiloquinone K

Synonymous chemical names:
ventiloquinone k

External chemical identifiers:
CID:44584756

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Chemical structure information

SMILES:
COC1=C(O)c2c(C(=O)C1=O)c(O)c1c(c2OC)CC(OC1C)C

InChI:
InChI=1S/C17H18O7/c1-6-5-8-9(7(2)24-6)12(18)10-11(16(8)22-3)14(20)17(23-4)15(21)13(10)19/h6-7,18,20H,5H2,1-4H3

InChIKey:
CYVPNPKVZHZTRD-UHFFFAOYSA-N

DeepSMILES:
COC=CO)ccC=O)C6=O)))cO)ccc6OC)))CCOC6C)))C

Functional groups:
COC, COC1=C(O)ccC(=O)C1=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2cc3c(cc2C1=O)COCC3

Scaffold Graph/Node level:
OC1CCC2CC3CCOCC3CC2C1O

Scaffold Graph level:
CC1CCC2CC3CCCCC3CC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

ClassyFire Subclass: Naphthopyranones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.903

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Chemical structure download