Batatasin IV
PubChem CID: 181271
Connections displayed (default: 10).
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| Compound Synonyms | Batatasin IV, 60347-67-3, 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol, 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol, 2',3-dihydroxy-5-methoxybibenzyl, CHEBI:2997, CHEMBL228126, Batatasin IV, DTXSID50209107, EX-A6737, HY-N8760, KCA34767, 2,3'-Dihydroxy-5'-methoxybibenzyl, BDBM50211956, LMPK13090032, AKOS030540362, FS-8402, 2-(3-hydroxy-5-methoxyphenethyl)phenol, DA-61498, CS-0149029, Phenol, 3-(2-(2-hydroxyphenyl)ethyl)-5-methoxy-, 3-[2-(2-Hydroxyphenyl)ethyl]-5-methoxyphenol, 9CI, Q27105920, 1-(2-Hydroxyphenyl)-2-(3-hydroxy-5-methoxyphenyl)ethane, 8KW |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P23219, P35354, n.a., P05979, P79208 |
| Iupac Name | 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IUMFLNFLJUUODE-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.802 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.448 |
| Compound Name | Batatasin IV |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7259313333333335 |
| Inchi | InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3 |
| Smiles | COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Deltoideodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dioscorea Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Dioscorea Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dioscorea Rotundata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Juniperus Bermudiana (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Leitneria Floridana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Notholaena Aschenborniana (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Thermopsis Mollis (Plant) Rel Props:Source_db:npass_chem_all