Summary

IMPPAT Phytochemical identifier: IMPHY009478

Phytochemical name: Clausine F

Synonymous chemical names:
clausine f

External chemical identifiers:
CID:132514, ChEMBL:CHEMBL519276

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Chemical structure information

SMILES:
COC(=O)c1cc(O)c2c(c1CC=C(C)C)c1ccccc1[nH]2

InChI:
InChI=1S/C19H19NO3/c1-11(2)8-9-12-14(19(22)23-3)10-16(21)18-17(12)13-6-4-5-7-15(13)20-18/h4-8,10,20-21H,9H2,1-3H3

InChIKey:
PAQIMQDRJHTGBI-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccO)ccc6CC=CC)C)))))cccccc6[nH]9

Functional groups:
CC=C(C)C, cC(=O)OC, 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: 1.417

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Chemical structure download