10-Hydroxyusambarensine
PubChem CID: 10433813
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| Compound Synonyms | 10-hydroxyusambarensine, CHEMBL523120 |
|---|---|
| Topological Polar Surface Area | 67.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 786.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 1-[[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]methyl]-9H-pyrido[3,4-b]indol-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C29H28N4O |
| Prediction Swissadme | 1.0 |
| Inchi Key | UXVNNVWPICKMTE-JKCZZUPASA-N |
| Fcsp3 | 0.2758620689655172 |
| Logs | -4.762 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.383 |
| Compound Name | 10-Hydroxyusambarensine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 448.226 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 448.226 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 448.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.9289575294117665 |
| Inchi | InChI=1S/C29H28N4O/c1-2-17-16-33-12-10-22-20-5-3-4-6-24(20)32-29(22)27(33)14-18(17)13-26-28-21(9-11-30-26)23-15-19(34)7-8-25(23)31-28/h2-9,11,15,18,27,31-32,34H,10,12-14,16H2,1H3/b17-2-/t18-,27-/m0/s1 |
| Smiles | C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1CC4=NC=CC5=C4NC6=C5C=C(C=C6)O)NC7=CC=CC=C37 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Strychnos Usambarensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all