Summary

IMPPAT Phytochemical identifier: IMPHY012210

Phytochemical name: Porphyrin

Synonymous chemical names:
porphyrin

External chemical identifiers:
CID:66868

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Chemical structure information

SMILES:
C1=C/C/2=C/c3ccc([nH]3)/C=c/3[nH]/c(=CC4=N/C(=CC1=N2)/C=C4)/cc3

InChI:
InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21-22H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-

InChIKey:
JZRYQZJSTWVBBD-CEVVSZFKSA-N

DeepSMILES:
C=C/C=C/cccc[nH]5)/C=c[nH]/c=CC=N/C=CC%18=N%17)))/C=C5))))))/cc5

Functional groups:
cC=Cc, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3

Scaffold Graph/Node level:
C1CC2CC3CCC(CC4CCC(CC5CCC(CC1N2)N5)N4)N3

Scaffold Graph level:
C1CC2CC1CC1CCC(C1)CC1CCC(C1)CC1CCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrapyrroles and derivatives

ClassyFire Subclass: Porphyrins

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.102

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Chemical structure download