Trigonostemine E
PubChem CID: 57391301
Connections displayed (default: 10).
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| Compound Synonyms | Trigonostemine E, 7-methoxy-1-quinolin-4-yl-2,9-dihydropyrido(3,4-b)indol-3-one, 7-methoxy-1-quinolin-4-yl-2,9-dihydropyrido[3,4-b]indol-3-one, CHEMBL1957112 |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 656.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-1-quinolin-4-yl-2,9-dihydropyrido[3,4-b]indol-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C21H15N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YDXLVLLGEJJBBH-UHFFFAOYSA-N |
| Fcsp3 | 0.0476190476190476 |
| Logs | -5.776 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.353 |
| Compound Name | Trigonostemine E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 341.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 341.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 341.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.125109384615385 |
| Inchi | InChI=1S/C21H15N3O2/c1-26-12-6-7-14-16-11-19(25)24-20(21(16)23-18(14)10-12)15-8-9-22-17-5-3-2-4-13(15)17/h2-11,23H,1H3,(H,24,25) |
| Smiles | COC1=CC2=C(C=C1)C3=CC(=O)NC(=C3N2)C4=CC=NC5=CC=CC=C45 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonostemon Howii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Trigonostemon Lii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Trigonostemon Reidioides (Plant) Rel Props:Reference: