Ganomycin A
PubChem CID: 9841824
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| Compound Synonyms | ganomycin A, (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid, Ganomycin-a, (2Z,5E,9E)-2-(2-(2,5-Dihydroxyphenyl)ethylidene)-11-hydroxy-6,10-dimethylundeca-5,9-dienoate, (2Z,5E,9E)-2-(2-(2,5-dihydroxyphenyl)ethylidene)-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid, (2Z,5E,9E)-2-[2-(2,5-Dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoate, CHEMBL496059, SCHEMBL1839019, CHEBI:201301, 2-(2-(2,5-Dihydroxyphenyl)-ethyliden)-11-hydroxy-6,10-dimethyl-undeca-5,9-diene acid, 267418-82-6 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)ethylidene]-11-hydroxy-6,10-dimethylundeca-5,9-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C21H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YMBZMWGZXRRFEN-KPJMVHGFSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -3.276 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.711 |
| Compound Name | Ganomycin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.294559230769233 |
| Inchi | InChI=1S/C21H28O5/c1-15(5-3-7-16(2)14-22)6-4-8-17(21(25)26)9-10-18-13-19(23)11-12-20(18)24/h6-7,9,11-13,22-24H,3-5,8,10,14H2,1-2H3,(H,25,26)/b15-6+,16-7+,17-9- |
| Smiles | C/C(=C\CC/C(=C/CC1=C(C=CC(=C1)O)O)/C(=O)O)/CC/C=C(\C)/CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Barleria Strigosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Juniperus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all