1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone
PubChem CID: 10389717
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isogarciniaxanthone E, 659747-28-1, 1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone, 3,4,6,8-tetrahydroxy-1,2,5-tris(3-methylbut-2-enyl)xanthen-9-one, CHEBI:66213, 3,4,6,8-tetrahydroxy-1,2,5-tris(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 9H-Xanthen-9-one, 3,4,6,8-tetrahydroxy-1,2,5-tris(3-methyl-2-butenyl)- (9CI), 3,4,6,8-Tetrahydroxy-1,2,5-tris(3-methyl-2-buten-1-yl)-9H-xanthen-9-one, 1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methylbut-2-enyl)xanthone, CHEMBL4205634, SCHEMBL15169342, 1,3,5,6-TH-MB-X, AKOS032948663, FI42686, FS-8930, DA-74557, Q27134751, 1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-buten-yl)xanthone, 3,4,6,8-TETRAHYDROXY-1,2,5-TRIS(3-METHYLBUT-2-EN-1-YL)XANTHEN-9-ONE |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 817.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,6,8-tetrahydroxy-1,2,5-tris(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C28H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAHRYXGQWSJKPI-UHFFFAOYSA-N |
| Fcsp3 | 0.3214285714285714 |
| Logs | -2.378 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.478 |
| Compound Name | 1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone |
| 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 | -7.933565482352942 |
| Inchi | InChI=1S/C28H32O6/c1-14(2)7-10-17-18(11-8-15(3)4)24(31)26(33)28-22(17)25(32)23-21(30)13-20(29)19(27(23)34-28)12-9-16(5)6/h7-9,13,29-31,33H,10-12H2,1-6H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C(=C3CC=C(C)C)CC=C(C)C)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Xanthochymus (Plant) Rel Props:Source_db:cmaup_ingredients