Gibberellin A3
Representations & DB's id
| ||
| ChEBI: | CHEBI:28833 | |
|---|---|---|
| ChEMBL: | CHEMBL1232952 | |
| PubChem: | 6466 | |
| IUPAC: | (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid | |
| Standard InChI: | InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1 | |
| Standard InChI Key: | IXORZMNAPKEEDV-OBDJNFEBSA-N | |
| SMILES: | OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O | |
Molecular propeties
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| AlogP: | 1.03 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 346.14 | |
| Topological polar surface area: | 104 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.684 | |
| Number of carbons: | 19 | |