2-[2-Hydroxy-5-(3-hydroxypropyl)-3-methoxyphenyl]-4-(3-hydroxypropyl)-6-methoxyphenol
PubChem CID: 40481541
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3594248, BDBM50462629, SR-01000500270, SR-01000500270-1 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q9H2K2 |
| Iupac Name | 2-[2-hydroxy-5-(3-hydroxypropyl)-3-methoxyphenyl]-4-(3-hydroxypropyl)-6-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C20H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWCXWQKUYMDYSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.398 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.402 |
| Compound Name | 2-[2-Hydroxy-5-(3-hydroxypropyl)-3-methoxyphenyl]-4-(3-hydroxypropyl)-6-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 362.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 362.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.504054861538462 |
| Inchi | InChI=1S/C20H26O6/c1-25-17-11-13(5-3-7-21)9-15(19(17)23)16-10-14(6-4-8-22)12-18(26-2)20(16)24/h9-12,21-24H,3-8H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)CCCO)OC)O)CCCO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Sibiricum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Geranium Sibiricum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Polygonatum Sibiricum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Seseli Sibiricum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Tanacetum Sibiricum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Veronicastrum Sibiricum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Xanthium Cavanillesii (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Xanthium Chasei (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Xanthium Indicum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Xanthium Orientale (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Xanthium Pennsylvanicum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Xanthium Pungens (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Xanthium Riparium (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Xanthium Spinosum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Reference: