4''-Deoxyterphenyllin
PubChem CID: 57345621
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| Compound Synonyms | 4''-Deoxyterphenyllin, P8MM2CV9BY, CHEBI:67535, UNII-P8MM2CV9BY, 59904-04-0, CHEMBL1951870, (1,1':4',1''-Terphenyl)-2',4-diol, 3',6'-dimethoxy-, 4'-Deoxyterphenyllin, 4''''-Deoxyterphenyllin, DTXSID201236995, BDBM50457918, Q27136004, 3',6'-dimethoxy-1,1':4',1''-terphenyl-2',4-diol, 3a(2),6a(2)-Dimethoxy[1,1a(2):4a(2),1a(2)a(2)-terphenyl]-2a(2),4-diol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q2M2H8 |
| Iupac Name | 2-(4-hydroxyphenyl)-3,6-dimethoxy-5-phenylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVUGIAPKIURDNR-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -4.295 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.581 |
| Compound Name | 4''-Deoxyterphenyllin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.907932 |
| Inchi | InChI=1S/C20H18O4/c1-23-17-12-16(13-6-4-3-5-7-13)20(24-2)19(22)18(17)14-8-10-15(21)11-9-14/h3-12,21-22H,1-2H3 |
| Smiles | COC1=C(C(=C(C(=C1)C2=CC=CC=C2)OC)O)C3=CC=C(C=C3)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: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