Capauridin
PubChem CID: 10165
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| Compound Synonyms | Capauridin, Capauridine, 478-15-9, MLS002920137, 13aalpha-Berbin-1-ol, 2,3,9,10-tetramethoxy- (8CI), Capaurine, (+-)-, NSC 132059, Capaurine, dl-, BERBIN-1-OL, 2,3,9,10-TETRAMETHOXY-, DL-, (.+-.)-Capaurine, Capaurine, (.+-.)-, SCHEMBL679768, NSC132059, NSC404532, NSC-132059, NSC-404532, 6H-Dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (+-)-, SMR001797734, Berbin-1-ol,3,9,10-tetramethoxy-, dl-, 13a.alpha.-Berbin-1-ol,3,9,10-tetramethoxy-, Berbin-1-ol,3,9,10-tetramethoxy-, (.+-.)-, WLN: T D6 B666 KN&TT&J GO1 HO1 PO1 QO1 RQ, 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (.+-.)-, 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)- |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C21H25NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GSPIMPLJQOCBFY-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.022 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.683 |
| Compound Name | Capauridin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 371.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.022173488888889 |
| Inchi | InChI=1S/C21H25NO5/c1-24-16-6-5-12-9-15-18-13(10-17(25-2)21(27-4)19(18)23)7-8-22(15)11-14(12)20(16)26-3/h5-6,10,15,23H,7-9,11H2,1-4H3 |
| Smiles | COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Aurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corydalis Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Strychnos Nitida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all