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.

Dichrostachine N

PubChem CID: 44557284

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

ℹ️ Click here to know more about the properties
Compound Synonyms Dichrostachine N, (4aR,8R,8aS)-8-(((1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl)methyl)-8a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione, (4aR,8R,8aS)-8-[[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl]-8a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione, CHEMBL1077626
Topological Polar Surface Area 157.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 47.0
Isotope Atom Count 0.0
Molecular Complexity 1520.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Uniprot Id n.a.
Iupac Name (4aR,8R,8aS)-8-[[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl]-8a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-3-methoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione
Prediction Hob 0.0
Xlogp 3.5
Molecular Formula C37H42O10
Prediction Swissadme 0.0
Inchi Key FMZMUHWPKKFIMW-LDCCHIFSSA-N
Fcsp3 0.5135135135135135
Logs -3.514
Rotatable Bond Count 5.0
Logd 1.852
Compound Name Dichrostachine N
Prediction Hob Swissadme 0.0
Exact Mass 646.278
Formal Charge 0.0
Monoisotopic Mass 646.278
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 646.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -5.3907914085106405
Inchi InChI=1S/C37H42O10/c1-18-8-9-22-33(43)28(46-7)14-30(42)37(22,31-13-26(41)32-25(40)10-21(45-6)11-27(32)47-31)23(18)17-36(44)19(2)24(39)12-29-34(3,4)15-20(38)16-35(29,36)5/h8,10-11,13-14,20,22-23,29,38,40,44H,2,9,12,15-17H2,1,3-7H3/t20-,22-,23+,29-,35-,36+,37-/m0/s1
Smiles CC1=CC[C@H]2C(=O)C(=CC(=O)[C@]2([C@@H]1C[C@]3(C(=C)C(=O)C[C@@H]4[C@@]3(C[C@H](CC4(C)C)O)C)O)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)OC
Nring 6.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Callerya Cinerea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Cotula Cinerea (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cupania Cinerea (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Cyanthillium Cinerea (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Dichrostachys Cinerea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Erica Cinerea (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Eucalyptus Cinerea (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Genista Cinerea (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Juglans Cinerea (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Knema Cinerea (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Roylea Cinerea (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Vatica Cinerea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Vernonia Cinerea (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Viola Cinerea (Plant) Rel Props:Reference:
Back to Browse   Back to Home