Pterorhodine

AlkaPlorer ID: AK311596

Synonym: 2-Amino-7-[(2-amino-1,4,5,6-tetrahydro-4,6-dioxo-7-pteridinyl)methylene]-1,5,7,8-tetrahydro-4,6-pteridinedione, Rhodomelanochrome, Lepidoporphyrin, Rhosoptein, Platynerepterin

IUPAC Name: 2-amino-7-[(Z)-(2-amino-4,6-dioxo-5,8-dihydro-3H-pteridin-7-ylidene)methyl]-3,5-dihydropteridine-4,6-dione

Structure

SMILES: NC1=NC2=C(NC(=O)/C(=C/C3=NC4=C(NC3=O)C(=O)NC(N)=N4)N2)C(=O)N1

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InChI: InChI=1S/C13H10N10O4/c14-12-20-6-4(10(26)22-12)18-8(24)2(16-6)1-3-9(25)19-5-7(17-3)21-13(15)23-11(5)27/h1H,(H,18,24)(H,19,25)(H3,14,16,20,22,26)(H4,15,17,21,23,27)/b3-1-

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InChIKey: STEFGLSLWLJVLH-IWQZZHSRSA-N

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Reference

PubChem CID: 135754306

CAS: 6538-79-0

Properties Information

Molecule Weight: 370.289

TPSA: 230.42

MolLogP: -2.3408

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information