Porphine
PubChem CID: 66868
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Porphine, Porphyrin, 21H,23H-Porphine, 101-60-0, porphin, 21H,23H-Porphin, 21,22-dihydroporphyrin, pentaporphyrin i, 604BGD9J5B, PORPHINE [MI], EINECS 202-958-7, DTXSID6059235, azaporphine, hydroporphyrin, UNII-604BGD9J5B, a porphyrin, porphyrin-, delta-isoboldine, 23h-porphyrin, SCHEMBL15809, SCHEMBL611755, CHEBI:8337, DTXCID40210742, CHEBI:174230, RKCAIXNGYQCCAL-CEVVSZFKSA-N, RKCAIXNGYQCCAL-UHFFFAOYSA-N, RKCAIXNGYQCCAL-YYOYBPFYSA-N, 2,10-dimethoxy-6a-aporphine-1,9-diol, 2,10-dimethoxy-6alpha-Aporphine-1,9-diol, DB-355429, C05113, (5Z,10Z,14Z,19Z)-21,23-dihydroporphyrin, 10.14272/RKCAIXNGYQCCAL-CEVVSZFKSA-N.1, doi:10.14272/RKCAIXNGYQCCAL-CEVVSZFKSA-N.1, 202-958-7, 21,22,23,24-Tetraazapentacyclo[16.2.1.1<3,6>.1<8,11>.1<13,16>]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC1CC1CCC(C1)CC1CCC(C1)CC1CCC(C1)C2 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | C=C/C=C/cccc[nH]5)/C=c[nH]/c=CC=N/C=CC%18=N%17)))/C=C5))))))/cc5 |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Tetrapyrroles and derivatives |
| Scaffold Graph Node Level | C1CC2CC3CCC(CC4CCC(CC5CCC(CC1N2)N5)N4)N3 |
| Classyfire Subclass | Porphyrins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 21,22-dihydroporphyrin |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H14N4 |
| Scaffold Graph Node Bond Level | C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3 |
| Inchi Key | JZRYQZJSTWVBBD-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | porphyrin |
| Esol Class | Poorly soluble |
| Functional Groups | cC=Cc, c[nH]c, cnc |
| Compound Name | Porphine |
| Exact Mass | 310.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.122 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| 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 |
| Smiles | C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Reference:ISBN:9788172362140