Taraxacine B
PubChem CID: 10999180
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| Compound Synonyms | 1-Methoxy-9h-pyrido[3,4-b]indole-3-carboxylic acid, 626236-62-2, Taraxacine B, 1-Methoxy-9H-pyrido(3,4-b)indole-3-carboxylate, 1-Methoxy-9H-pyrido[3,4-b]indole-3-carboxylate, 1-methoxy-9H-pyrido(3,4-b)indole-3-carboxylic acid, DB-345825 |
|---|---|
| Topological Polar Surface Area | 75.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C13H10N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZGILNCXLRBSAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.167 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.215 |
| Compound Name | Taraxacine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.306695244444444 |
| Inchi | InChI=1S/C13H10N2O3/c1-18-12-11-8(6-10(15-12)13(16)17)7-4-2-3-5-9(7)14-11/h2-6,14H,1H3,(H,16,17) |
| Smiles | COC1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients