Eckol
PubChem CID: 145937
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Eckol, 88798-74-7, 4-(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol, 1-(3,5-Dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin, CHEBI:65819, 4A5E8354UB, 4-(3,5-dihydroxyphenoxy)oxanthrene-1,3,6,8-tetrol, UNII-4A5E8354UB, CHEMBL471187, DTXSID40237333, 4-(3,5-dihydroxyphenoxy)-dibenzo(b,e)(1,4)dioxin-1,3,6,8-tetrol, 4-(3,5-Dihydroxyphenoxy)dibenzo[b,e][1,4]dioxine-1,3,6,8-tetraol, 4-(3,5-DIHYDROXYPHENOXY)DIBENZO(B,E)(1,4)DIOXIN-1,3,6,8-TETROL, Dibenzo(b,e)(1,4)-dioxin-1,3,6,8-tetrol, 4-(3,5-dihydroxyphenoxy)-, DIBENZO(B,E)(1,4)DIOXIN-1,3,6,8-TETROL, 4-(3,5-DIHYDROXYPHENOXY)-, Dibenzo[b,e][1,4]dioxin-1,3,6,8-tetrol, 4-(3,5-dihydroxyphenoxy)-, SCHEMBL2562621, DTXCID40159824, BDBM50259982, AKOS040745766, DA-63108, FE175743, HY-114203, CS-0079519, Q5332934 |
|---|---|
| Topological Polar Surface Area | 149.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 509.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P56817, P0C6X7 |
| Iupac Name | 4-(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol |
| Prediction Hob | 0.0 |
| Target Id | NPT740 |
| Xlogp | 2.5 |
| Molecular Formula | C18H12O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PCZZRBGISTUIOA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.797 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.056 |
| Compound Name | Eckol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.048 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 372.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.059300333333334 |
| Inchi | InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H |
| Smiles | C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)O)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Boonei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alstonia Scholaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Alstonia Spatulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Alstonia Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all