1,3,5-Trihydroxy-6-methoxy-2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)xanthen-9-one
PubChem CID: 162843713
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 681.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-trihydroxy-6-methoxy-2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C24H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKHDDMLXCAVEOK-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -3.257 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.021 |
| Compound Name | 1,3,5-Trihydroxy-6-methoxy-2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.709422533333334 |
| Inchi | InChI=1S/C24H26O6/c1-7-24(4,5)18-15(25)11-16-17(20(18)27)19(26)14-10-13(9-8-12(2)3)22(29-6)21(28)23(14)30-16/h7-8,10-11,25,27-28H,1,9H2,2-6H3 |
| Smiles | CC(=CCC1=CC2=C(C(=C1OC)O)OC3=C(C2=O)C(=C(C(=C3)O)C(C)(C)C=C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients