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gomisin N

PubChem CID: 158103

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Compound Synonyms gomisin N, Isokadsuranin, Schizandrin B, 69176-52-9, Wuweizisu B, (+)-Schisandrin B, 82467-52-5, (-)-Gomisin N, Deoxygomisin A, Gamma-schizandrin, ( )-Schisandrin B, (+)-gamma-Schizandrin, gamma-Schisandrin, UNII-DKO6O75Z5V, DKO6O75Z5V, CHEBI:4410, 02XA4X3KZW, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13aS)-, (9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (6R,7S,13aR)-, AC1L4JAK, Gomisin-N, (+)-schizandrin B, UNII-02XA4X3KZW, .GAMMA.-SCHISANDRIN, .GAMMA.-SCHIZANDRIN, SCHEMBL713266, CHEMBL402435, DTXSID10231747, CHEBI:132471, SCHISANDRIN B, (+/-)-, HY-N2267, HY-N6866, BDBM50595039, (+/-)-.GAMMA.-SCHISANDRIN, (+/-)-.GAMMA.-SCHIZANDRIN, AKOS015965220, FG65499, FI74454, AC-20310, AC-34238, AC-34828, MS-26802, CS-0019596, CS-0027857, E80780, E87117, SCHISANDRIN B (.GAMMA.-SCHISANDRIN) (CONSTITUENT OF NORTHERN SCHISANDRA) [DSC], (6R,7S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole, (6R,7S,13AS)-5,6,7,8-TETRAHYDRO-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOLE, (6R,7S13aR)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-11H-benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole, 1,2,3,12-tetramethoxy-6,7-dimethyl- 10,11-methylenedioxy-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene, BENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOLE, 5,6,7,8-TETRAHYDRO-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYL-, (6R,7S,13AR)-REL-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 55.4
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CC2CC3CCCCC4CCCCC4C3CC2C1
Np Classifier Class Dibenzocyclooctadienes lignans
Deep Smiles COcccC[C@@H]C)[C@@H]C)Ccc-c8cc%12OC)))OC))))cOC))ccc6)OCO5
Heavy Atom Count 29.0
Classyfire Class Tannins
Scaffold Graph Node Level C1CCC2CC3OCOC3CC2C2CCCCC2C1
Classyfire Subclass Hydrolyzable tannins
Isotope Atom Count 0.0
Molecular Complexity 543.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id O42275, P81908, n.a.
Iupac Name (9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 5.1
Gsk 4 400 Rule False
Molecular Formula C23H28O6
Scaffold Graph Node Bond Level c1ccc2c(c1)CCCCc1cc3c(cc1-2)OCO3
Prediction Swissadme 0.0
Inchi Key RTZKSTLPRTWFEV-OLZOCXBDSA-N
Silicos It Class Poorly soluble
Fcsp3 0.4782608695652174
Logs -5.785
Rotatable Bond Count 4.0
Logd 4.124
Synonyms gamma-schizandrin, gomisin n, wuweizisu b
Esol Class Moderately soluble
Functional Groups c1cOCO1, cOC
Compound Name gomisin N
Prediction Hob Swissadme 0.0
Exact Mass 400.189
Formal Charge 0.0
Monoisotopic Mass 400.189
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 400.5
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -5.597027096551725
Inchi InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1
Smiles C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)OC)OCO3
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Lignans

  • 1. Outgoing r'ship FOUND_IN to/from Alstonia Muelleriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Cina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Coreopsis Nodosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Dacrydium Cupressinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Glycine Tomentella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Haematococcus Lacustris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Kadsura Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Nicotiana Undulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Panax Schinseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Passiflora Incarnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Schisandra Rubriflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Tripolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Tripterygium Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Uvaria Calamistrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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