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Eurycomanone

PubChem CID: 13936691

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Compound Synonyms Eurycomanone, 84633-29-4, Pasakbumin-A, pasakbumin A, X7F43HL2HB, (1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione, DTXSID101004921, NSC 339187, NSC-339187, 4,5,7,8,17-Pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione, (1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-11,20-EPOXY-1,11,12,14,15-PENTAHYDROXYPICRASA-3,13(21)-DIENE-2,16-DIONE, PICRASA-3,13(21)-DIENE-2,16-DIONE, 11,20-EPOXY-1,11,12,14,15-PENTAHYDROXY-, (1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-, Picrasa-3,13(21)-diene-2,16-dione, 11,2O-epoxy-1,11,12,14,15-pentahydroxy-, (1-beta,11-beta,12-alpha,15-beta)-, dihydrate, 13alpha,21-dihydroeurycomanone, (1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo(9.8.0.01,7.04,19.013,18)nonadec-14-ene-9,16-dione, Eurycomanone (Standard), UNII-X7F43HL2HB, Eurycomanone - Bio-X trade mark, HY-N5012R, DTXCID501767795, GLXC-14855, (1beta,11beta,12alpha,15beta)-1,11,12,14,15-pentahydroxy-11,20-epoxypicrasa-3,13(21)-diene-2,16-dione, HY-N5012, Picrasa-3,13(21)-diene-2,16-dione,11,2O-epoxy-1,11,12,14,15-pentahydroxy-,(1beta,11beta,12alpha,15beta)-,dihydrate, AKOS030530160, Eurycomanone (Synonyms: Pasakbumin A), FE74396, AC-34394, AS-78621, BE300078, DA-53072, CS-0032073, (1BETA,11BETA,12ALPHA,15BETA)-11,20-EPOXY-1,11,12,14,15-PENTAHYDROXYPICRASA-3,13(21)-DIENE-2,16-DIONE, (1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0(1),?.0?,(1)?.0(1)(3),(1)?]nonadec-14-ene-9,16-dione, 112-310-4, PICRASA-3,13(21)-DIENE-2,16-DIONE, 11,20-EPOXY-1,11,12,14,15-PENTAHYDROXY-, (1BETA,11BETA,12ALPHA,15BETA)-
Topological Polar Surface Area 154.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 29.0
Isotope Atom Count 0.0
Molecular Complexity 896.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 10.0
Iupac Name (1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Prediction Hob 1.0
Xlogp -2.8
Molecular Formula C20H24O9
Prediction Swissadme 0.0
Inchi Key UCUWZJWAQQRCOR-OKNZMGBLSA-N
Fcsp3 0.7
Logs -3.721
Rotatable Bond Count 0.0
Logd -0.241
Compound Name Eurycomanone
Prediction Hob Swissadme 0.0
Exact Mass 408.142
Formal Charge 0.0
Monoisotopic Mass 408.142
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 408.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Esol -0.6395986
Inchi InChI=1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3/t9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1
Smiles CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@]4([C@H](C(=O)O3)O)O)O)(OC5)O)C)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aralidium Pinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Bersama Swinnyi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Blainvillea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Cheilanthes Marantae (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Euphorbia Resinifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Eurycoma Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Geigeria Schinzii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Goniothalamus Undulatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Helichrysum Angustifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Helichrysum Sutherlandii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Leontice Kiangnanensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Lophocereus Marginatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Nemuaron Humboldtii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Ophryosporus Charua (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Pachycereus Pringlei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Papaver Radicatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Pinus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Prosopis Kuntzei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Pteris Spinulosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Stenocereus Thurberi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients
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