3,3''-Dihydroxyterphenyllin
PubChem CID: 10429220
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| Compound Synonyms | 3,3''-Dihydroxyterphenyllin, CHEBI:67538, 3,3-Dihydroxyterphenyllin, CHEMBL1795467, 4-[4-(3,4-dihydroxyphenyl)-3-hydroxy-2,5-dimethoxyphenyl]benzene-1,2-diol, 3,3'-Dihydroxyterphenyllin, 3,3''-DHT, BDBM50457894, BS-1287, Q27136007, 3',6'-Dimethoxy-1,1':4',1''-terphenyl-2',3,3'',4,4''-pentol |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q2M2H8 |
| Iupac Name | 4-[4-(3,4-dihydroxyphenyl)-3-hydroxy-2,5-dimethoxyphenyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VXSPWGWNHZICJF-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -3.698 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.692 |
| Compound Name | 3,3''-Dihydroxyterphenyllin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.469746733333333 |
| Inchi | InChI=1S/C20H18O7/c1-26-17-9-12(10-3-5-13(21)15(23)7-10)20(27-2)19(25)18(17)11-4-6-14(22)16(24)8-11/h3-9,21-25H,1-2H3 |
| Smiles | COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)O)O)OC)O)C3=CC(=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acrostichum Aureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anthocleista Procera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Fleroya Stipulosa (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gnaphalium Oligandrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ixeris Denticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Sideritis Hirsuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Solanum Capsicastrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Ulva Lactuca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Wulfenia Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all