Summary

IMPPAT Phytochemical identifier: IMPHY000215

Phytochemical name: Murrayacinine

Synonymous chemical names:
murrayacinine

External chemical identifiers:
CID:102219164, ChEBI:168925

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Chemical structure information

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

InChI:
InChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3

InChIKey:
VEZSSHVWEILOAM-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6OCC)CCC=CC)C)))))C=C6))))))[nH]cc5cccc6

Functional groups:
CC=C(C)C, cC=CC, cC=O, 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: 2.501

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Chemical structure download