Summary

IMPPAT Phytochemical identifier: IMPHY007665

Phytochemical name: Bikoeniquinone A

Synonymous chemical names:
bikoeniquinone a

External chemical identifiers:
CID:10432264

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Chemical structure information

SMILES:
COc1cc(C)c(c2c1[nH]c1c2cccc1)C1=C(C)C(=O)c2c(C1=O)[nH]c1c2cccc1

InChI:
InChI=1S/C27H20N2O3/c1-13-12-19(32-3)24-22(15-8-4-6-10-17(15)28-24)20(13)21-14(2)26(30)23-16-9-5-7-11-18(16)29-25(23)27(21)31/h4-12,28-29H,1-3H3

InChIKey:
WNIJCVSAQYOBMV-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6[nH]cc5cccc6)))))))))C=CC)C=O)ccC6=O))[nH]cc5cccc6

Functional groups:
cC1=C(C)C(=O)ccC1=O, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C(c2cccc3[nH]c4ccccc4c23)=CC(=O)c2c1[nH]c1ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCC3NC4CCCCC4C32)C(O)C2NC3CCCCC3C12

Scaffold Graph level:
CC1CC(C2CCCC3CC4CCCCC4C32)C(C)C2CC3CCCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 0.803

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Chemical structure download