Gerontoxanthone G
PubChem CID: 14412268
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| Compound Synonyms | gerontoxanthone G, 4,8,9-trihydroxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo(3,2-b)xanthen-5-one, 4,8,9-trihydroxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one, MLS000697633, CHEMBL479107, HMS2267H15, SMR000470961, 125140-04-7 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 683.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | C4YTQ8 |
| Iupac Name | 4,8,9-trihydroxy-2,3,3-trimethyl-7-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBAHQFUORXONGI-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -3.448 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.535 |
| Compound Name | Gerontoxanthone G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 396.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.448063179310347 |
| Inchi | InChI=1S/C23H24O6/c1-10(2)6-7-12-8-13-19(25)16-14(29-22(13)21(27)18(12)24)9-15-17(20(16)26)23(4,5)11(3)28-15/h6,8-9,11,24,26-27H,7H2,1-5H3 |
| Smiles | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C(=C4)CC=C(C)C)O)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all