Summary

IMPPAT Phytochemical identifier: IMPHY008385

Phytochemical name: Murrastifoline F

Synonymous chemical names:
murrastifoline f

External chemical identifiers:
CID:10432278, ChEBI:169887, ZINC:ZINC000014611150

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Chemical structure information

SMILES:
COc1cc(C)cc2c1n(c1c(C)cc(c3c1c1ccccc1[nH]3)OC)c1c2cccc1

InChI:
InChI=1S/C28H24N2O2/c1-16-13-20-18-9-6-8-12-22(18)30(28(20)24(14-16)32-4)27-17(2)15-23(31-3)26-25(27)19-10-5-7-11-21(19)29-26/h5-15,29H,1-4H3

InChIKey:
OBQIZMYFDVTSTF-UHFFFAOYSA-N

DeepSMILES:
COcccC)ccc6nccC)cccc6cccccc6[nH]9)))))))))OC))))))cc5cccc6

Functional groups:
c-n(c)c, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1cccc(-n3c4ccccc4c4ccccc43)c12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCC(N3C4CCCCC4C4CCCCC43)C12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC(C3C4CCCCC4C4CCCCC43)C12

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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: 0.001

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Chemical structure download