(+/-)-Isocorypalmine
PubChem CID: 10220
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| Compound Synonyms | (+/-)-Isocorypalmine, Isocorypalmine, DL-, (R,S)-Isocorypalmine, DL-Tetrahydrocolumbamine, Isocorypalmine, (+/-)-, (R,S)-Tetrahydrocolumbamine, Isocorypalmine DL-form [MI], 6487-33-8, UNII-YHT108XMMM, YHT108XMMM, (+/-)-Alkaloid L from corydalis, 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol, CHEMBL3780481, 6H-Dibenzo(a,g)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-, (+-)-Isocorypalmine, SCHEMBL680031, 3,9,10-trimethoxyberbin-2-ol, CHEBI:140671, BDBM50152836, 5,8,13,13-Tetrahydro-3,9,10-trimethoxy-6H-dibenzo(a,q)quinolizin-2-ol, 6H-Dibenzo(a,q)quinolizin-2-ol, 5,8,13,13a-tetrahydro-3,9,10-trimethoxy-, AKOS032947778, 6989-84-0, Q27294528 |
|---|---|
| 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 | Q99720, P35462, P14416, P21728 |
| Iupac Name | 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT296, NPT244, NPT243, NPT242 |
| Xlogp | 2.9 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KDFKJOFJHSVROC-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.823 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.952 |
| Compound Name | (+/-)-Isocorypalmine |
| 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 | -3.947223400000001 |
| Inchi | InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3 |
| Smiles | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:npass_chem_all