9,11-Dihydroxy-3,3-dimethyl-5,10-bis(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one
PubChem CID: 11690875
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 831.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,11-dihydroxy-3,3-dimethyl-5,10-bis(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C28H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCLKADQNTHGFRD-UHFFFAOYSA-N |
| Fcsp3 | 0.3214285714285714 |
| Logs | -2.251 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.457 |
| Compound Name | 9,11-Dihydroxy-3,3-dimethyl-5,10-bis(3-methylbut-2-enyl)pyrano[3,2-a]xanthen-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 446.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.774105993939395 |
| Inchi | InChI=1S/C28H30O5/c1-15(2)7-9-17-13-21-23(19-11-12-28(5,6)33-27(17)19)26(31)24-22(32-21)14-20(29)18(25(24)30)10-8-16(3)4/h7-8,11-14,29-30H,9-10H2,1-6H3 |
| Smiles | CC(=CCC1=CC2=C(C3=C1OC(C=C3)(C)C)C(=O)C4=C(O2)C=C(C(=C4O)CC=C(C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients