d-Ribalinidine
PubChem CID: 336322
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| Compound Synonyms | d-Ribalinidine, NSC350080, 87936-14-9, 3,7-Dihydroxy-2,2,10-trimethyl-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5(10H)-one, 3,7-Dihydroxy-2,2,10-trimethyl-2,3,4,10-tetrahydro-5H-pyrano(2,3-b)quinolin-5-one, 3,7-Dihydroxy-2,2,10-trimethyl-2,3,4,10-tetrahydro-5H-pyrano[2,3-b]quinolin-5-one, Ribalinidine, NSC 350080, CHEMBL22738, FQIQQNIQIRUWGC-UHFFFAOYSA-N, 3,7-dihydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one, NSC-350080, 3,7-Dihydroxy-2,2,10-trimethyl-2,3,4,10-tetrahydro-5H-pyrano[2,3-b]quinolin-5-one # |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dihydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Is Pains | False |
| Molecular Formula | C15H17NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQIQQNIQIRUWGC-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 0.0 |
| Compound Name | d-Ribalinidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 275.116 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 275.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 275.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6808848 |
| Inchi | InChI=1S/C15H17NO4/c1-15(2)12(18)7-10-13(19)9-6-8(17)4-5-11(9)16(3)14(10)20-15/h4-6,12,17-18H,7H2,1-3H3 |
| Smiles | CC1(C(CC2=C(O1)N(C3=C(C2=O)C=C(C=C3)O)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhynchotechum Vestitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all