Summary

IMPPAT Phytochemical identifier: IMPHY008541

Phytochemical name: Glycomaurrol

Synonymous chemical names:
glycomaurrol

External chemical identifiers:
CID:13996081

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Chemical structure information

SMILES:
CC(=CCc1c(O)ccc2c1c1cc(C)ccc1[nH]2)C

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

InChIKey:
SHNRPNUTQQJVJO-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6cccC)ccc6[nH]9)))))))))))))))C

Functional groups:
CC=C(C)C, cO, 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: 1.191

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Chemical structure download