Coreximine
PubChem CID: 7037179
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| Compound Synonyms | Coreximine, 483-45-4, (S)-(+)-Coreximine, (S)-Coreximine, (-)-Coreximine, UNII-9T6OLW325N, 9T6OLW325N, (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol, 6H-Dibenzo(a,g)quinolizine-2,11-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (S)-, (S)-(+)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol, , COREXIMIN, COREXIMINE, (-)-, S-(-)-COREXIMINEINE, CHEMBL1164087, CHEBI:175178, FC20554, Q27273160, 13A.ALPHA.-BERBINE-2,11-DIOL, 3,10-DIMETHOXY-, (13AS)-5,8,13,13A-TETRAHYDRO-3,10-DIMETHOXY-6H-DIBENZO(A,G)QUINOLIZINE-2,11-DIOL, 6H-DIBENZO(A,G)QUINOLIZINE-2,11-DIOL, 5,8,13,13A-TETRAHYDRO-3,10-DIMETHOXY-, (13AS)- |
|---|---|
| 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 | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BWUQAWCUJMATJS-HNNXBMFYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -1.696 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.923 |
| Compound Name | Coreximine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| 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/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1 |
| Smiles | COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all