This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Didesmethylrocaglamide

PubChem CID: 397614

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Didesmethylrocaglamide, 177262-30-5, (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, RocB, (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta(b)(1)benzofuran-2-carboxamide, NSC705956, Didesmethylrocaglamide?, CHEMBL583207, HY-19356A, NSC825721, AKOS040755444, DB15496, NSC-705956, NSC-825721, DA-62855, MS-28858, NCI60_037765, CS-0129457, G17371, 1H-Cyclopenta[b]benzofuran-2-carboxamide,3,3a,8b-tetra~ hydro-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3- phenyl-, [1R-(1.alpha.,2.alpha.,3.beta.,3a.beta.,8b.beta.)]-
Topological Polar Surface Area 120.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 35.0
Isotope Atom Count 0.0
Molecular Complexity 767.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id Q04206
Iupac Name (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
Prediction Hob 1.0
Xlogp 2.2
Molecular Formula C27H27NO7
Prediction Swissadme 1.0
Inchi Key RMNPQEWLGQURNX-PXIJUOARSA-N
Fcsp3 0.2962962962962963
Logs -3.602
Rotatable Bond Count 6.0
Logd 3.823
Compound Name Didesmethylrocaglamide
Prediction Hob Swissadme 1.0
Exact Mass 477.179
Formal Charge 0.0
Monoisotopic Mass 477.179
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 477.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -4.66255202857143
Inchi InChI=1S/C27H27NO7/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(28)30)24(29)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,29,31H,1-3H3,(H2,28,30)/t21-,22-,24-,26+,27+/m1/s1
Smiles COC1=CC=C(C=C1)[C@]23[C@@H]([C@H]([C@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)N)C5=CC=CC=C5
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aglaia Argentea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aglaia Australiensis (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aglaia Cordata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aglaia Dasyclada (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aglaia Edulis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Aglaia Elaeagnoidea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Aglaia Elliptica (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Aglaia Elliptifolia (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Aglaia Forbesii (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Aglaia Formosana (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Aglaia Foveolata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Aglaia Gigantea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Aglaia Grandis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Aglaia Hiernii (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Aglaia Lawii (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Aglaia Laxiflora (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Aglaia Leucophylla (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Aglaia Meridionalis (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Aglaia Odorata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Aglaia Odoratissima (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Aglaia Pirifera (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Aglaia Pyramidata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Aglaia Roxburghiana (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Aglaia Rubiginosa (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Aglaia Spectabilis (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Aglaia Tomentosa (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Aglaia Tsangii (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Aglaia Urghiana (Plant) Rel Props:Reference:
Back to Browse   Back to Home