2,9,10-Trimethoxy-4a,8,11,13a-tetrahydro-5H-isoquinolino[2,3-a]quinolin-3-ol
PubChem CID: 3083926
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| Compound Synonyms | DTXSID00975603, 2,9,10-Trimethoxy-4a,8,11,13a-tetrahydro-5H-isoquinolino[2,3-a]quinolin-3-ol |
|---|---|
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 782.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,9,10-trimethoxy-5,8,11,13a-tetrahydro-4aH-isoquinolino[2,3-a]quinolin-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WWVOQNBJYPKUTR-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.334 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.496 |
| Compound Name | 2,9,10-Trimethoxy-4a,8,11,13a-tetrahydro-5H-isoquinolino[2,3-a]quinolin-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 341.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 341.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 341.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8990234000000004 |
| Inchi | InChI=1S/C20H23NO4/c1-23-18-10-16-12(7-17(18)22)4-5-15-6-13-8-19(24-2)20(25-3)9-14(13)11-21(15)16/h5-7,10-12,16,22H,4,8-9H2,1-3H3 |
| Smiles | COC1=C(CC2=CN3C4C=C(C(=CC4CC=C3C=C2C1)O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Julianae (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Incisa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients