3,6,8-Trihydroxy-1,1,4-tris(3-methylbut-2-enyl)xanthene-2,9-dione
PubChem CID: 132525189
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| Compound Synonyms | CHEMBL3926643 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 989.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,8-trihydroxy-1,1,4-tris(3-methylbut-2-enyl)xanthene-2,9-dione |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C28H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OIAZNWYVIIFBMM-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -6.573 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.314 |
| Compound Name | 3,6,8-Trihydroxy-1,1,4-tris(3-methylbut-2-enyl)xanthene-2,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 464.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 464.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 464.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.454206658823531 |
| Inchi | InChI=1S/C28H32O6/c1-15(2)7-8-19-24(31)27(33)28(11-9-16(3)4,12-10-17(5)6)23-25(32)22-20(30)13-18(29)14-21(22)34-26(19)23/h7,9-10,13-14,29-31H,8,11-12H2,1-6H3 |
| Smiles | CC(=CCC1=C(C(=O)C(C2=C1OC3=CC(=CC(=C3C2=O)O)O)(CC=C(C)C)CC=C(C)C)O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients