Summary

IMPPAT Phytochemical identifier: IMPHY008387

Phytochemical name: Murrayanol

Synonymous chemical names:
murrayanol

External chemical identifiers:
CID:9975970, ChEBI:174857, ZINC:ZINC000015206004, MolPort-039-338-862

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Chemical structure information

SMILES:
COc1cc2[nH]c3c(c2cc1C)ccc(c3C/C=C(/CCC=C(C)C)C)O

InChI:
InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+

InChIKey:
RTEIBQDXHHQYRJ-CXUHLZMHSA-N

DeepSMILES:
COccc[nH]ccc5cc9C))))cccc6C/C=C/CCC=CC)C)))))C)))))O

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

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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: 1.606

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Chemical structure download