Korupensamine A
PubChem CID: 392421
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Korupensamine A, Korupensamine B, 158182-18-4, CHEBI:31754, CHEMBL487392, (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol, 158252-04-1, 6,8-Isoquinolinediol, 1,2,3,4-tetrahydro-5-(4-hydroxy-5-methoxy-7-methyl-1-naphthalenyl)-1,3-dimethyl-, (1R,3R,5S)-, (-)-Korupensamine A, AC1Q2QQ8, AC1L9432, SureCN1230082, SCHEMBL1230082, DTXSID50935873, BDBM50623587, NSC692899, NSC-692899, Q27114680, (1R,3R)-5-(4-hydroxy-5-methoxy-7-methyl-1-naphthyl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol, 5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol, 6,8-Isoquinolinediol, 1,2,3,4-tetrahydro-5-(4-hydroxy-5-methoxy-7-methyl-1-naphthalenyl)-1,3-dimethyl-, (1R,3R,5R)- |
|---|---|
| Topological Polar Surface Area | 82.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 545.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C23H25NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JOXWHCNNDTWJPX-CHWSQXEVSA-N |
| Fcsp3 | 0.3043478260869565 |
| Logs | -4.271 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.696 |
| Compound Name | Korupensamine A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 379.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 379.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 379.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1987843428571425 |
| Inchi | InChI=1S/C23H25NO4/c1-11-7-15-14(5-6-17(25)23(15)20(8-11)28-4)22-16-9-12(2)24-13(3)21(16)18(26)10-19(22)27/h5-8,10,12-13,24-27H,9H2,1-4H3/t12-,13-/m1/s1 |
| Smiles | C[C@@H]1CC2=C(C(=CC(=C2[C@H](N1)C)O)O)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ancistrocladus Attenuatus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Ancistrocladus Heyneanus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Ancistrocladus Korupensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ancistrocladus Likoko (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ancistrocladus Tectorius (Plant) Rel Props:Reference: