schisandrin A
PubChem CID: 155256
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| Compound Synonyms | schisandrin A, Schizandrin A, 61281-38-7, Deoxyschisandrin, (+)-Deoxyschizandrin, (-)-Deoxyschisandrin, (-)-Deoxyschizandrin, (-)-Dimethylgomisin J, UNII-74XQL5DO3S, 74XQL5DO3S, 69176-53-0, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, stereoisomer, Wuweizisu A, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,10,11,12-hexamethoxy-, (6R,7S)-1,2,3,10,11,12-Hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene, (9R,10s)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene, (9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene, DIBENZO(A,C)CYCLOOCTENE, 5,6,7,8-TETRAHYDRO-1,2,3,10,11,12-HEXAMETHOXY-6,7-DIMETHYL-, (6R,7S,12AR)-, hexamethoxy(dimethyl)[?], Di-O-methylgomisin J, SchisandrinA, Schizandrin-A, Wuweizisu-A, Deoxyschizandrin, MFCD09026934, Schisandrin A (Standard), MLS000728483, CHEMBL253908, GTPL2769, SCHEMBL2404905, SCHIZANDRIN A [WHO-DD], HY-N0693R, DTXSID10219222, CHEBI:228907, JEJFTTRHGBKKEI-OKILXGFUSA-N, HMS2227F15, Schisandrin A, analytical standard, HY-N0693, Schisandrin A, >=98% (HPLC), BDBM50485611, s3822, AKOS015960456, CCG-268845, CS-3658, 1ST40207, AC-11192, AC-34831, BS-17208, DA-67486, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, (6R,7S,12aS)-, SMR000445690, NCGC00385070-01!, C3501, SR-01000777559, SR-01000777559-3, Q15410931, SCHISANDRIN A (DEOXYSCHISANDRIN) (CONSTITUENT OF NORTHERN SCHISANDRA), SCHISANDRIN A (DEOXYSCHISANDRIN) (CONSTITUENT OF NORTHERN SCHISANDRA) [DSC], (6R,7S,12aR)-5,6,7,8-Tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyldibenzo[a,c]cyclooctene, (9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0^{2,7}]hexadeca-1(16),2,4,6,12,14-hexaene |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q13315, P33527, O75496, P43220, O42275, P81908, Q9NUW8, Q8WZA2, n.a., Q96EB6, P08684, P20815 |
| Iupac Name | (9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene |
| Prediction Hob | 1.0 |
| Target Id | NPT524 |
| Xlogp | 5.3 |
| Molecular Formula | C24H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEJFTTRHGBKKEI-OKILXGFUSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.152 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.883 |
| Compound Name | schisandrin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 416.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 416.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.636186800000001 |
| Inchi | InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+ |
| Smiles | C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)OC)OC)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Schisandra Neglecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Schisandra Rubriflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all