9-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
PubChem CID: 127043774
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| Compound Synonyms | CHEMBL3810205, SCHEMBL20788991 |
|---|---|
| Topological Polar Surface Area | 95.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 653.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C21H21NO7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IBGDVWJNEJOUPY-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.561 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.419 |
| Compound Name | 9-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 399.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 399.132 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 399.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.848580696551725 |
| Inchi | InChI=1S/C21H21NO7/c1-25-14-6-5-10(7-13(14)23)16-17-11(22-12-9-29-21(24)18(12)16)8-15(26-2)19(27-3)20(17)28-4/h5-8,16,22-23H,9H2,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2C3=C(COC3=O)NC4=CC(=C(C(=C24)OC)OC)OC)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bridelia Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients