Scoulerine
PubChem CID: 22955
Connections displayed (default: 10).
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| Compound Synonyms | Scoulerine, Discretamine, 605-34-5, (R,S)-Scoulerine, 6451-72-5, 3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol, CHEBI:31033, l-Scoulerine, l-Skoulerine, S-SCOULERINE, 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, (RS)-Scoulerine, 2,9-Dioxy-3,10-dimethoxyberbine, Prestwick_527, Prestwick0_000601, Prestwick1_000601, Prestwick2_000601, (.+/-.)-Scoulerine, Compound NP-025370, SPBio_002721, 13a-alpha-BERBINE-2,9-DIOL, 3,10-DIMETHOXY-, CHEMBL191133, SCHEMBL13885928, ACon1_002293, DTXSID80895057, (S)-(-)-Scoulerine, (S)-Scoulerine, Scoulerin, Scoulerine, (-)-, l-Scoulerine, KNWVMRVOBAFFMH-UHFFFAOYSA-N, HMS1569J04, HMS3374K08, AKOS040736751, 6H-Dibenzo(a,g)quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, 6H-Dibenzo(a,g)quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (S)-, DA-67496, E80639, Berbine-2,9-diol, 3,10-dimethoxy-, (.+/-.)-, BRD-A82844593-001-02-8, Q27114086, 3,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol #, 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)- |
|---|---|
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | True |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KNWVMRVOBAFFMH-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Scoulerine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.739456 |
| Inchi | InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3 |
| Smiles | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Incisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (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