Sanggenon I
PubChem CID: 21721851
Connections displayed (default: 10).
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| Compound Synonyms | Sanggenon I, LMPK12140514 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | BVVVHQJFODXUQX-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | Sanggenon I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 728.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.801909012903225 |
| Inchi | InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-16-18(27)7-6-17(24(16)31-25)21-13-20(29)23-19(28)11-15(26)12-22(23)30-21/h5-8,10-12,21,26-28H,4,9,13H2,1-3H3 |
| Smiles | CC(=CCCC1(C=CC2=C(C=CC(=C2O1)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C)C |
| Xlogp | 5.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H26O6 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients