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.

meso-Octahydrocurcumin

PubChem CID: 13888133

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

Compound Synonyms meso-Octahydrocurcumin, CHEMBL463199, EX-A9631, 153381-09-0
Topological Polar Surface Area 99.4
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 370.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (3R,5S)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
Prediction Hob 0.0
Xlogp 3.2
Molecular Formula C21H28O6
Prediction Swissadme 0.0
Inchi Key OELMAFBLFOKZJD-CALCHBBNSA-N
Fcsp3 0.4285714285714285
Logs -3.988
Rotatable Bond Count 10.0
Logd 2.639
Compound Name meso-Octahydrocurcumin
Prediction Hob Swissadme 0.0
Exact Mass 376.189
Formal Charge 0.0
Monoisotopic Mass 376.189
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 376.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -3.8651726888888893
Inchi InChI=1S/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3/t16-,17+
Smiles COC1=C(C=CC(=C1)CC[C@H](C[C@H](CCC2=CC(=C(C=C2)O)OC)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0