Pelargonidin Chloride
PubChem CID: 67249
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pelargonidin chloride, 134-04-3, Pelargonidin, PELARGONIDIN (CHLORIDE), 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride, Pelargonidol chloride, 3,4',5,7-Tetrahydroxyflavylium chloride, Pelargonidinchloride, CHEBI:28510, 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol, chloride, 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride, MFCD00017589, DFL6200791, 3,4',5,7-tetrahydroxy-2-phenylbenzopyrylium chloride, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloride, 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride, CHEMBL591036, 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol, UNII-DFL6200791, EINECS 205-127-7, Pelargonidin(chloride), PELARGONIDIN [MI], SCHEMBL20591, Pelargonidin, Pelargonidol chloride, DTXSID001020859, BCP24005, AKOS030573524, CS-W012086, FP34134, HY-W011370, 1ST40123, AC-34446, LS-14367, DB-042216, Q27103746 |
|---|---|
| Topological Polar Surface Area | 81.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q04760, Q9H255 |
| Iupac Name | 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol, chloride |
| Prediction Hob | 1.0 |
| Target Id | NPT1566 |
| Molecular Formula | C15H11ClO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPVZJXMTXCOTJN-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.377 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.189 |
| Compound Name | Pelargonidin Chloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.03 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 306.7 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9638557238095236 |
| Inchi | InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15, /h1-7H,(H3-,16,17,18,19), 1H |
| Smiles | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O.[Cl-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all