6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID: 18549659
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL326452, SCHEMBL7221844, CHEMBL3810257 |
|---|---|
| Topological Polar Surface Area | 93.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 700.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C23H25NO8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZUKLQPSFXBGCBI-UHFFFAOYSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -4.707 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.258 |
| Compound Name | 6,7,8-trimethoxy-9-(3,4,5-trimethoxyphenyl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 443.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 443.158 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 443.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.150002400000002 |
| Inchi | InChI=1S/C23H25NO8/c1-26-14-7-11(8-15(27-2)20(14)29-4)17-18-12(24-13-10-32-23(25)19(13)17)9-16(28-3)21(30-5)22(18)31-6/h7-9,17,24H,10H2,1-6H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2C3=C(COC3=O)NC4=CC(=C(C(=C24)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bridelia Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients