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.

Sanggenol M

PubChem CID: 44559956

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

ℹ️ Click here to know more about the properties
Compound Synonyms sanggenol M, 2-(2,4-dihydroxyphenyl)-6-((1R,5S,6R)-5-(2,4-dihydroxyphenyl)-6-(4-hydroxy-3-(3-methylbut-2-enyl)benzoyl)-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one, 2-(2,4-dihydroxyphenyl)-6-[(1R,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one, CHEMBL450127, 205174-33-0
Topological Polar Surface Area 185.0
Hydrogen Bond Donor Count 7.0
Heavy Atom Count 55.0
Isotope Atom Count 0.0
Molecular Complexity 1430.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Uniprot Id n.a.
Iupac Name 2-(2,4-dihydroxyphenyl)-6-[(1R,5S,6R)-5-(2,4-dihydroxyphenyl)-6-[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Prediction Hob 0.0
Xlogp 8.7
Molecular Formula C45H46O10
Prediction Swissadme 0.0
Inchi Key QPSHIEFJPZIFAL-XDUCGWBJSA-N
Fcsp3 0.2888888888888888
Logs -2.373
Rotatable Bond Count 10.0
Logd 3.951
Compound Name Sanggenol M
Prediction Hob Swissadme 0.0
Exact Mass 746.309
Formal Charge 0.0
Monoisotopic Mass 746.309
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 746.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -9.601797690909091
Inchi InChI=1S/C45H46O10/c1-23(2)6-5-7-25-16-32(30-13-11-28(46)19-35(30)49)41(44(53)27-10-15-34(48)26(18-27)9-8-24(3)4)33(17-25)42-37(51)22-40-43(45(42)54)38(52)21-39(55-40)31-14-12-29(47)20-36(31)50/h6,8,10-15,17-20,22,32-33,39,41,46-51,54H,5,7,9,16,21H2,1-4H3/t32-,33-,39?,41-/m1/s1
Smiles CC(=CCCC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=CC(=C(C=C3)O)CC=C(C)C)C4=C(C5=C(C=C4O)OC(CC5=O)C6=C(C=C(C=C6)O)O)O)C
Nring 6.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Adonis Mongolica (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Mongolica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cistanche Mongolica (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Morus Bombycis (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Morus Cathayana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Morus Macroma (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Morus Macroura (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Morus Serrata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Phlomis Mongolica (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Quercus Mongolica (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Spiraea Mongolica (Plant) Rel Props:Reference:
Back to Browse   Back to Home