6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one
PubChem CID: 5465516
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| Compound Synonyms | Xanthone 4, NSC651713, 6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one, CHEMBL479289, 6,11-dihydroxy-3-methyl-3-(4-methylpent-3-enyl)pyrano[2,3-c]xanthen-7-one, CHEBI:178983, DTXSID101130988, BDBM50613668, NSC-651713, 35338-77-3, 3H,7H-Pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-, 6,11-dihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-2,10-dihydro-1,5-dioxatetraphen-10-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Description | Constituent of the root bark of Garcinia livingstonei (imbe). 6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 666.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11-dihydroxy-3-methyl-3-(4-methylpent-3-enyl)pyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C23H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVANTWLBTIEHSX-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.395 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.893 |
| Synonyms | Xanthone 4 |
| Compound Name | 6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 378.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.2768288 |
| Inchi | InChI=1S/C23H22O5/c1-13(2)6-5-10-23(3)11-9-14-18(28-23)12-17(25)19-20(26)15-7-4-8-16(24)21(15)27-22(14)19/h4,6-9,11-12,24-25H,5,10H2,1-3H3 |
| Smiles | CC(=CCCC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Livingstonei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all