Summary

IMPPAT Phytochemical identifier: IMPHY014393

Phytochemical name: Clausine L

Synonymous chemical names:
clausine-l

External chemical identifiers:
CID:24898872, ChEMBL:CHEMBL2037029, ChEBI:173802, ZINC:ZINC000014445256, FDASRS:9ALK8P8JQ2

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Chemical structure information

SMILES:
COC(=O)c1cc2c(cc1OC)[nH]c1c2cccc1

InChI:
InChI=1S/C15H13NO3/c1-18-14-8-13-10(7-11(14)15(17)19-2)9-5-3-4-6-12(9)16-13/h3-8,16H,1-2H3

InChIKey:
BYDOYRHWHKPKQP-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccccc6OC))))[nH]cc5cccc6

Functional groups:
cC(=O)OC, 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: 0.031

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Chemical structure download