Summary

IMPPAT Phytochemical identifier: IMPHY007590

Phytochemical name: Girinimbine

Synonymous chemical names:
girinimbine

External chemical identifiers:
CID:96943, ChEMBL:CHEMBL1477760, ChEBI:69926, ZINC:ZINC000001615142, SureChEMBL:SCHEMBL4132680, MolPort-001-740-434

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Chemical structure information

SMILES:
Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1

InChI:
InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3

InChIKey:
GAEQWKVGMHUUKO-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6OCC)C)C=C6))))))[nH]cc5cccc6

Functional groups:
cC=CC, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CCCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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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: 1.888

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Chemical structure download