Sanggenone K
PubChem CID: 44258299
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| Compound Synonyms | Sanggenone K, 86450-77-3, (-)-Sanggenone K, 5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3-methylbut-2-enyl)chromen-4-one, Sanggenon K, LMPK12110930, AKOS040762296, FS-7736, CS-0149149 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 952.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.5 |
| Molecular Formula | C30H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JDZJUEFVZGTGIJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.253 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.633 |
| Compound Name | Sanggenone K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 488.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 488.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 488.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.35068488888889 |
| Inchi | InChI=1S/C30H32O6/c1-17(2)7-6-13-30(5)14-12-20-23(32)11-10-22(29(20)36-30)28-21(9-8-18(3)4)27(34)26-24(33)15-19(31)16-25(26)35-28/h7-8,10-12,14-16,31-33H,6,9,13H2,1-5H3 |
| Smiles | CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)CC=C(C)C)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients