Combretastatin B-4
PubChem CID: 146633
Connections displayed (default: 10).
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| Compound Synonyms | Combretastatin B-4, 4-[2-(3,5-dimethoxyphenyl)ethyl]benzene-1,2-diol, Combretastatin B4, 116518-75-3, 1,2-Benzenediol, 4-(2-(3,5-dimethoxyphenyl)ethyl)-, CHEMBL487612, DTXSID50151415, 4-(2-(3,5-Dimethoxyphenyl)ethyl)benzene-1,2-diol, DTXCID0073906, BDBM50612038, 338990-20-8, DA-42736 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(3,5-dimethoxyphenyl)ethyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBRZRNRAYCSTKB-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.618 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.473 |
| Compound Name | Combretastatin B-4 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8265592 |
| Inchi | InChI=1S/C16H18O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h5-10,17-18H,3-4H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)CCC2=CC(=C(C=C2)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Acuminatum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Combretum Albidum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Combretum Latifolium (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Combretum Nanum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Combretum Quadrangulare (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Combretum Roxburghii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Combretum Yunnanensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Harpephyllum Caffrum (Plant) Rel Props:Reference: