Lichexanthone
PubChem CID: 5358904
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| Compound Synonyms | Lichexanthone, 15222-53-4, 1-Hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one, lichenxanthone, 1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one, CHEBI:67821, Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl-, 92O5D9Z07W, 9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl-, LICHEXANTHONE B804322K045, NSC 288657, NSC-288657, UNII-92O5D9Z07W, DTXSID80164977, SpecPlus_000071, Spectrum5_001811, DivK1c_006167, CHEMBL470650, SCHEMBL4272316, DTXCID8087468, KBio1_001111, 9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl- (9CI), NSC288657, Xanthen-9-one,6-dimethoxy-8-methyl-, 1-hydroxy-3,6-dimethoxy-8-methylxanthone, 9H-Xanthen-9-one,6-dimethoxy-8-methyl-, NS00134237, 1-hydroxy-3,6-dimethoxy-8-methyl-xanthen-9-one, Q27136297, 1-Hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one #, Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl-(8CI), 9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl-(9CI) |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QDLAGTHXVHQKRE-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.132 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.003 |
| Compound Name | Lichexanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.502587933333333 |
| Inchi | InChI=1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3 |
| Smiles | CC1=CC(=CC2=C1C(=O)C3=C(C=C(C=C3O2)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agathis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cupania Cinerea (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dracaena Concinna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Isodon Amethystoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Neolitsea Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ophiorrhiza Kuroiwae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Stachyurus Praecox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all