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Tazettine

PubChem CID: 5321780

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Compound Synonyms Tazettine, Sekisanolin, Sekisanoline, Ungernine, (+)-Tazettine, Tazetine, Ungernin, Sekisanine, Sekisanin, UNII-76WEU12CSO, 76WEU12CSO, CHEBI:32185, 507-79-9, Tazettin, NSC 652297, TACETTINE, TAZETTINE [MI], NSC 115495, DTXSID10878333, NSC-115495, NSC-652297, (1S,13S,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol, 8H-(1,3)DIOXOLO(6,7)(2)BENZOPYRANO(3,4-C)INDOL-6A(3H)-OL, 4,4A,5,6-TETRAHYDRO-3-METHOXY-5-METHYL-, (3S,4AS,6AS,13BS)-, (+)-(3S,4aS,6aS,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H,8H-(1,3)dioxolo(6,7)(2)benzopyrano(3,4-c)indol-6a-ol, (+)-(3S,4aS,6aS,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a-ol, (1S,13S,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo(11.7.0.01,16.02,10.04,8)icosa-2,4(8),9,19-tetraen-13-ol, 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, (3S,4aS,6aS,13bS)-, Tazettine (8CI), Tazettine (8CI)(9CI), CHEMBL457605, SCHEMBL5792215, DTXCID001016387, (3S,4aS,6aR,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-8H-(1,3)dioxolo(4',5':6,7)isochromeno(3,4-c)indol-6a(3H)-ol, (3S,4aS,6aR,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-8H-[1,3]dioxolo[4',5':6,7]isochromeno[3,4-c]indol-6a(3H)-ol, [3S-(3.alpha.,4a.alpha.,6a.beta.,13bR*)]-4,4a,5,6-Tetrahydro-3-methoxy-5-methyl-8H-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol, 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, [3S-(3.alpha.,4a.alpha.,6a.beta.,13bR*)]-, HY-N6622, BDBM50546237, STL578169, AKOS030491273, DA-50012, CS-0034391, NS00094645, Q27114811, (+)-(3S,4aS,6aS,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[ 6,7][2]benzopyrano[3,4-c]indol-6a-ol, (3S-(3alpha,4aalpha,6abeta,13bR*))-4,4a,5,6-Tetrahydro-3-methoxy-5-methyl-8H-(1,3)dioxolo(6,7)(2)benzopyrano(3,4-c)indol-6a(3H)-ol, 8H-(1,3)Dioxolo(6,7)(2)benzopyrano(3,4-c)indol-6a(3H)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, (3S-(3alpha,4aalpha,6abeta,13bR*))-, 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3H)-ol,4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, (3S,4aS,6aS,13bS)-
Topological Polar Surface Area 60.4
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 556.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id n.a., P42330
Iupac Name (1S,13S,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-13-ol
Prediction Hob 1.0
Target Id NPT3504
Xlogp 1.0
Molecular Formula C18H21NO5
Prediction Swissadme 1.0
Inchi Key YLWAQARRNQVEHD-PBZHRCKQSA-N
Fcsp3 0.5555555555555556
Logs -3.01
Rotatable Bond Count 1.0
Logd 1.852
Compound Name Tazettine
Prediction Hob Swissadme 1.0
Exact Mass 331.142
Formal Charge 0.0
Monoisotopic Mass 331.142
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 331.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -2.668681600000001
Inchi InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18-/m1/s1
Smiles CN1C[C@@]2([C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Artemisia Juncea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Atriplex Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Corynandra Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Crotalaria Crispata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Dalbergia Candenatensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Dryopteris Dilatata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Eupatorium Laevigatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Ferula Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Haplopappus Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Hesperocyparis Arizonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Hymenocallis Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Leucojum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Ligularia Altaica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Ligularia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Lycoris Aurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Medicago Polymorpha (Plant) Rel Props:Source_db:npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Narcissus Tazetta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Neorautanenia Mitis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Pancratium Maritimum (Plant) Rel Props:Source_db:npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Stachys Aegyptiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Source_db:npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Viburnum Lantana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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