Summary

IMPPAT Phytochemical identifier: IMPHY014205

Phytochemical name: Ventiloquinone G

Synonymous chemical names:
ventiloquinone g

External chemical identifiers:
CID:11109030

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Chemical structure information

SMILES:
C[C@@H]1O[C@H](C)c2c(C1)c(O)c1c(c2O)C(=CC(=O)C1=O)O

InChI:
InChI=1S/C15H14O6/c1-5-3-7-10(6(2)21-5)15(20)11-8(16)4-9(17)14(19)12(11)13(7)18/h4-6,16,18,20H,3H2,1-2H3/t5-,6+/m0/s1

InChIKey:
IEIMXTNIYANNRS-NTSWFWBYSA-N

DeepSMILES:
C[C@@H]O[C@H]C)ccC6)cO)ccc6O))C=CC=O)C6=O))))O

Functional groups:
COC, O=C1C=C(O)ccC1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2cc3c(cc2C1=O)CCOC3

Scaffold Graph/Node level:
OC1CCC2CC3COCCC3CC2C1O

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: 2.236

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Chemical structure download