Corypalmine
PubChem CID: 11186895
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| Compound Synonyms | Corypalmine, (-)-Corypalmine, 6018-40-2, Discretinine, CHEMBL2334885, 28R31624GX, (13aS)-2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol, UNII-28R31624GX, CORYPALMIN, CORYPALMINE [MI], CORYPALMINE, (-)-, L-TETRAHYDROJATRORRHIZINE, CORYPALMINE L-FORM [MI], SCHEMBL21192511, (S)-TETRAHYDROJATRORRHIZINE, HY-N3636, BDBM50429051, AKOS032962430, FC65352, FS-8858, DA-52069, CS-0023979, Q27254340, 3-HYDROXY-2,9,10-TRIMETHOXY-13A.ALPHA.-BERBINE, (13AS)-5,8,13,13A-TETRAHYDRO-2,9,10-TRIMETHOXY-6H-DIBENZO(A,G)QUINOLIZIN-3-OL, 6H-Dibenzo(a,g)quinolizin-3-ol, 5,8,13,13a-tetrahydro-2,9,10-trimethoxy-, (S)-, 6H-DIBENZO(A,G)QUINOLIZIN-3-OL, 5,8,13,13A-TETRAHYDRO-2,9,10-TRIMETHOXY-, (13AS)- |
|---|---|
| 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 | 1.0 |
| Uniprot Id | P21728, P08908, P28223, P14416, P21917, P35462, P21918 |
| Iupac Name | (13aS)-2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT242, NPT244, NPT243, NPT1811 |
| Xlogp | 2.9 |
| Molecular Formula | C20H23NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BMCZTYDZHNTKPR-INIZCTEOSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.059 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.925 |
| Compound Name | Corypalmine |
| 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/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)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/t16-/m0/s1 |
| Smiles | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)O)OC)C=C1)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Spectabilis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cyperus Nipponicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dalbergia Spruceana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Amplum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Erythrophleum Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Euphorbia Broteri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Horsfieldia Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Notholaena Schaffneri (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Nuxia Sphaerocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Piper Retrofractum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Radula Voluta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Sideritis Ferrensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Zamia Spiralis (Plant) Rel Props:Source_db:npass_chem_all