Hyperjovinol B
PubChem CID: 10314717
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hyperjovinol B, 1-[(8aR,10aR)-1,3-dihydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]-2-methylpropan-1-one, 1-((8aR,10aR)-1,3-dihydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl)-2-methylpropan-1-one, CHEMBL526163, 722457-95-6 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 500.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 1-[(8aR,10aR)-1,3-dihydroxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]-2-methylpropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDSIDDNDJFYVNH-FOIQADDNSA-N |
| Fcsp3 | 0.65 |
| Logs | -4.098 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.295 |
| Compound Name | Hyperjovinol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 332.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2427280000000005 |
| Inchi | InChI=1S/C20H28O4/c1-11(2)17(22)16-13(21)10-14-12(18(16)23)9-15-19(3,4)7-6-8-20(15,5)24-14/h10-11,15,21,23H,6-9H2,1-5H3/t15-,20-/m1/s1 |
| Smiles | CC(C)C(=O)C1=C(C2=C(C=C1O)O[C@@]3(CCCC([C@H]3C2)(C)C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Jovis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all