Schizandrin-C
PubChem CID: 119112
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| Compound Synonyms | schisandrin C, 61301-33-5, Schizandrin-C, Wuweizisu-C, NSC609258, 66138-32-7, Schisandrin dervative, MFCD00272170, Schisandrin derivative, R-(+)-Wuweizisu C, SCHEMBL12280310, DTXSID101317497, Schisandrin C, >=98% (HPLC), CCG-268455, NSC-609258, NCGC00385072-01, AC-34835, DA-67487, LS-14945, [1,3]Dioxolo[4'',5'']benzo[1'',2'':3',4']cycloocta[1',2':4,5]benzo[1,2-d]-1,3-dioxole, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, [1,3]Dioxolo[4'',5'']benzo[1'',2'':3',4']cycloocta[1',2':4,5]benzo[1,2-d]-1,3-dioxole,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene, 95152-94-6, NCGC00385072-01_C22H24O6_13,14-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrahydro[1,3]benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxole |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 509.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene |
| Prediction Hob | 1.0 |
| Class | Tannins |
| Xlogp | 5.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Hydrolyzable tannins |
| Molecular Formula | C22H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTBWBWWADZJXID-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -6.807 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.084 |
| Synonyms | Schizandrin C, Wuweizisu C |
| Compound Name | Schizandrin-C, Wuweizisu-C |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -5.558596457142858 |
| Inchi | InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3 |
| Smiles | CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4CC1C)OCO5)OC)OC)OCO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Hydrolyzable tannins |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all