Summary

IMPPAT Phytochemical identifier: IMPHY014220

Phytochemical name: Ventiloquinone F

Synonymous chemical names:
ventiloquinone f

External chemical identifiers:
CID:11403490, ZINC:ZINC000014827896

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Chemical structure information

SMILES:
COC1=CC(=O)c2c(C1=O)c(O)c1c(c2)[C@@H](C)O[C@H](C1)C

InChI:
InChI=1S/C16H16O5/c1-7-4-10-9(8(2)21-7)5-11-12(17)6-13(20-3)16(19)14(11)15(10)18/h5-8,18H,4H2,1-3H3/t7-,8+/m0/s1

InChIKey:
VNVSSZITGOCWNO-JGVFFNPUSA-N

DeepSMILES:
COC=CC=O)ccC6=O))cO)ccc6)[C@@H]C)O[C@H]C6)C

Functional groups:
COC, COC1=CC(=O)ccC1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2cc3c(cc21)CCOC3

Scaffold Graph/Node level:
OC1CCC(O)C2CC3COCCC3CC12

Scaffold Graph level:
CC1CCC(C)C2CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isochromanequinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 2.257

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Chemical structure download