| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 42 | No |
(3R,3'R)-Beta,Beta-Carotene-3,3'-Diol, Lutein
(3R,3'R,6S)-4,5-Didehydro-5,6-Dihydro-Beta,Beta-Carotene-3,3'-Diol
127-40-2; C08601; Lutein; Xanthophyll
4,5-Didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol
beta,epsilon-Carotene-3,3'-diol
CHEBI:43817; CHEBI:6576; CHEBI:27324
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 9.31 | 19.09 | -8.95 | 2 | 2 | 0 | 40 | 568.886 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.32e-04 g/l | DrugBank-nutriceuticals |
| UniProt Database Links | ABA2_CAPAN; CB11_SOLLC; CB120_HORVU; CB121_HORVU; CB12_PETHY; CB12_SOLLC; CB13_SOLLC; CB1A_ARATH; CB1B_ARATH; CB1C_ARATH; CB215_PEA; CB21_CUCSA; CB21_EUGGR; CB21_GOSHI; CB21_LEMGI; CB21_MAIZE; CB21_ORYSJ; CB21_PEA; CB21_PETSP; CB21_PINTH; CB21_POPEU; CB21 | ChEBI |
| Patent Database Links | EP1516542; EP1597973; EP1598060; EP1616556; EP1637130; EP1681060; EP1772767; EP1800666; EP1808483; EP1810694; EP1864654; EP1897530; EP1920663; EP1932516; EP1932520; EP1932521; EP1938803; EP1952796; EP1982690; US2001008644; US2002110599; US2002165285; US20 | ChEBI |
| Target | Hepatocyte nuclear factor 1-alpha(P20823)&Zinc finger homeobox protein 3(Q15911)&25-hydroxycholesterol 7-alpha-hydroxylase(O75881)&3-hydroxy-3-methylglutaryl-coenzyme A reductase(P04035)&2'-5'-oligoadenylate synthase 3(Q9Y6K5)&Gastric intrinsic factor(P27 | Herbal Ingredients Targets |
