Summary

IMPPAT Phytochemical identifier: IMPHY005566

Phytochemical name: Harman

Synonymous chemical names:
harman, harmane, loturine, passiflorine, passiflorine+

External chemical identifiers:
CID:5281404, ChEMBL:CHEMBL12014, ChEBI:5623, ZINC:ZINC000006069162, FDASRS:82D6J0535P, SureChEMBL:SCHEMBL141723, MolPort-000-875-443

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Chemical structure information

SMILES:
Cc1nccc2c1[nH]c1c2cccc1

InChI:
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3

InChIKey:
PSFDQSOCUJVVGF-UHFFFAOYSA-N

DeepSMILES:
Ccncccc6[nH]cc5cccc6

Functional groups:
c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1cnccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CNCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.307

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Chemical structure download