(+)-Corydaline
PubChem CID: 326549
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| Compound Synonyms | Corydalin, (+)-Corydaline, Corydaline, (+)-, d-Corydaline, NSC406036, (+)-Corydaline, Corydalin, 6018-35-5, NSC 406036, NSC-406036, Corydaline (+), Berbine, 2,3,9,10-tetramethoxy-13-methyl-, SCHEMBL20759649, DTXSID40975602, VRSRXLJTYQVOHC-UHFFFAOYSA-N, 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)-, NSC298182, AKOS024429505, LS-14951, Berbine,3,9,10-tetramethoxy-13-methyl-, WLN: T D6 B666 KN&TT&J C1 GO1 HO1 PO1 QO1, 13a.beta.-Berbine,3,9,10-tetramethoxy-13.alpha.-methyl-, 13a.beta.-Berbine, 2,3,9,10-tetramethoxy-13.alpha.-methyl-, 2,3,9,10-Tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline, 3,4,10,11-TETRAMETHOXY-13-METHYL-7,8,12B,13-TETRAHYDRO-5H-6-AZATETRAPHENE, 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)- |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Prediction Hob | 1.0 |
| Class | Protoberberine alkaloids and derivatives |
| Xlogp | 3.6 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C22H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VRSRXLJTYQVOHC-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.163 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.328 |
| Synonyms | 2,3,9,10-Tetramethoxy-13a-methyl-13ab-berbine, D-Corydaline, Corydaline |
| Compound Name | (+)-Corydaline |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 369.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.444647088888889 |
| Inchi | InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3 |
| Smiles | CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Protoberberine alkaloids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Adunca (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Ambigua (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corydalis Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Corydalis Incisa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Corydalis Ledebouriana (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Corydalis Longicalcarata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Corydalis Remota (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients