9-Hydroxy-alpha-lapachone
PubChem CID: 5320006
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| Compound Synonyms | 9-hydroxy-alpha-lapachone, 22333-58-0, 9-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione, 9-Hydroxy-, A-lapachone, alpha-Dihydrocaryopterone, 9-Hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione, -Dihydrocaryopterone, 3,4-Dihydro-9-hydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione, 9-Hydroxy-alpha-lapachone, 9-Hydroxy--lapachone, CHEMBL2036874, DTXSID70415768, HY-N2794, XAA33358, AKOS015999032, FS-9611, DA-70403, CS-0023320, B0005-189981, 3,4-dihydro-9-hydroxy-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione, 9-HYDROXY-2,2-DIMETHYL-3H,4H-NAPHTHO[2,3-B]PYRAN-5,10-DIONE, 3,4-Dihydro-9-hydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione, 9-Hydroxy--lapachone |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MYROJYNCTNKRCD-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.225 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.139 |
| Compound Name | 9-Hydroxy-alpha-lapachone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4641768105263155 |
| Inchi | InChI=1S/C15H14O4/c1-15(2)7-6-9-12(17)8-4-3-5-10(16)11(8)13(18)14(9)19-15/h3-5,16H,6-7H2,1-2H3 |
| Smiles | CC1(CCC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catalpa Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all