Xylopinine
PubChem CID: 226520
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| Compound Synonyms | Xylopinine, Norcoralydine, (-)-Xylopinine, O-Methylgovanine, O,O-Dimethylgovadine, Govanine methyl ether, S-(-)-Xylopinine, 523-02-4, NSC17067, CHEBI:10084, (13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline, (-?)?-?Xylopinine, NSC 17067, NORCORELYDINE, (s)-norcoralydine, 84-38-8, CHEMBL465824, SCHEMBL9011855, 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-, (S)-, YOAUKNYXWBTMMF-KRWDZBQOSA-N, DTXSID101317459, NSC-17067, AKOS027326216, (-)-2,3,10,11-Tetramethoxyberbine, 13a.alpha.-Berbine,3,10,11-tetramethoxy-, C09671, Q27108574, 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-, (S)-, (13AS)-2,3,10,11-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C21H25NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YOAUKNYXWBTMMF-KRWDZBQOSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.784 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.142 |
| Compound Name | Xylopinine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 355.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 355.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 355.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.168678861538463 |
| Inchi | InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3/t17-/m0/s1 |
| Smiles | COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;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 Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Stephania Viridiflavens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all