Tetrahydropalmatrubine
PubChem CID: 453215
Connections displayed (default: 10).
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| Compound Synonyms | Tetrahydropalmatrubine, 7762-76-7, CHEMBL2314745, 6H-Dibenzo[a,g]quinolizin-9-ol, 5,8,13,13a-tetrahydro-2,3,10-trimethoxy-, 2,3,10-Trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-9-ol, 32154-71-5, (-)-Tetrahydropalmatrubine, (1)-Tetrahydropalmatrubine, 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol, SCHEMBL12904352, DTXSID50954024, BDBM50424076, HY-N12063, DA-68075, CS-0891246, 2,3,10-Trimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-ol, 6H-Dibenzo[a,g]quinolizin-9-ol, 5,8,13,13a-tetrahydro-2,3,10-trimethoxy-, (1)- |
|---|---|
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P13726, P21728, P14416 |
| Iupac Name | 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT677, NPT242, NPT243 |
| Xlogp | 2.9 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DKBYSDUFSXFXMP-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.143 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.777 |
| Compound Name | Tetrahydropalmatrubine |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9472234000000004 |
| Inchi | InChI=1S/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3 |
| Smiles | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Chinense (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Arisaema Amurense (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cirsium Chinense (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Clerodendrum Chinense (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Clinopodium Chinense (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cynanchum Chinense (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Eriosema Chinense (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Eupatorium Chinense (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Hypericum Chinense (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Loropetalum Chinense (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Lycopodium Chinense (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Phellodendron Japonicum (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Phellodendron Sachalinense (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Polygonum Chinense (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Ribes Fasciculatum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Thesium Chinense (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Verbascum Chinense (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Vernonia Chinense (Plant) Rel Props:Reference: