Taraxacine A
PubChem CID: 10976451
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| Compound Synonyms | 1-Methoxy-9h-pyrido[3,4-b]indole, 30151-92-9, Taraxacine A, 1-methoxy-9H-pyrido(3,4-b)indole, 1-methoxy-beta-carboline, CHEMBL5275026, SCHEMBL23319492, DB-345824 |
|---|---|
| Topological Polar Surface Area | 37.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-9H-pyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C12H10N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RQLKZZBMSWQOQJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -2.708 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.11 |
| Compound Name | Taraxacine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2949283333333335 |
| Inchi | InChI=1S/C12H10N2O/c1-15-12-11-9(6-7-13-12)8-4-2-3-5-10(8)14-11/h2-7,14H,1H3 |
| Smiles | COC1=NC=CC2=C1NC3=CC=CC=C23 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients