Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012797

Phytochemical name: Mukoenine A

Synonymous chemical names:
mukoenine a, girinimbilol, Girinimbilol

External chemical identifiers:
CID:CID_5209, ChEMBL:CHEMBL4104856, ZINC:ZINC000003874958

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Chemical structure information

SMILES:
CC(=CCc1c(O)c(C)cc2c1[nH]c1c2cccc1)C

InChI:
InChI=1S/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3

InChIKey:
PURITTXNCHNYEP-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cC)ccc6[nH]cc5cccc6)))))))))))))))C

Functional groups:
CC=C(C)C, c[nH]c, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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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: 1.48

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Chemical structure download