Quassidine D
PubChem CID: 46184323
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | quassidine D, 4,8-dimethoxy-1-(3-methoxy-3-(9H-pyrido(3,4-b)indol-1-yl)propyl)-9H-pyrido(3,4-b)indole, 4,8-dimethoxy-1-(3-methoxy-3-{9h-pyrido[3,4-b]indol-1-yl}propyl)-9h-pyrido[3,4-b]indole, 4,8-dimethoxy-1-[3-methoxy-3-(9H-pyrido[3,4-b]indol-1-yl)propyl]-9H-pyrido[3,4-b]indole, CHEMBL1087137 |
|---|---|
| Topological Polar Surface Area | 85.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 712.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethoxy-1-[3-methoxy-3-(9H-pyrido[3,4-b]indol-1-yl)propyl]-9H-pyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C28H26N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWYKKQVFQMAMNL-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -4.736 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.507 |
| Compound Name | Quassidine D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 466.2 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 466.2 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 466.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.793868485714286 |
| Inchi | InChI=1S/C28H26N4O3/c1-33-21-10-6-8-18-24-23(35-3)15-30-20(27(24)32-25(18)21)11-12-22(34-2)28-26-17(13-14-29-28)16-7-4-5-9-19(16)31-26/h4-10,13-15,22,31-32H,11-12H2,1-3H3 |
| Smiles | COC1=CC=CC2=C1NC3=C2C(=CN=C3CCC(C4=NC=CC5=C4NC6=CC=CC=C56)OC)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all