IMPPAT Phytochemical information:
Porphyrin
Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID010790
Phytochemical name: Porphyrin
Synonymous chemical names:porphyrin
External chemical identifiers:CID:CID_66868
Chemical structure information
SMILES:
C1=C/C/2=C/c3ccc([nH]3)/C=c/3\[nH]/c(=C\C4=N/C(=C\C1=N2)/C=C4)/cc3InChI:
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-NDeepSMILES:
C=C/C=C/cccc[nH]5)/C=c\[nH]/c=C\C=N/C=C\C%18=N\%17)))/C=C5))))))/cc\5Functional groups:
cC=Cc, c[nH]c, cnc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3Scaffold Graph/Node level:
C1CC2CC3CCC(CC4CCC(CC5CCC(CC1N2)N5)N4)N3Scaffold Graph level:
C1CC2CC1CC1CCC(C1)CC1CCC(C1)CC1CCC(C1)C2
Chemical classification
NP Classifier Biosynthetic pathway: AlkaloidsNP Classifier Superclass: Tryptophan alkaloidsNP Classifier Class: Carboline alkaloidsNP-Likeness score: 0.102
Chemical structure download
