2,3,4,7-Tetramethoxyphenanthrene
PubChem CID: 11437978
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| Compound Synonyms | 2,3,4,7-tetramethoxyphenanthrene, 97399-69-4, DTXSID90465927, 2,3,4,7-Tetramethoxy-phenanthrene, CHEMBL73252, SCHEMBL1976736, 2347-Tetramethoxy-phenanthrene, DTXCID80416746, SZWNNHPMXYWRRE-UHFFFAOYSA-N, AKOS015906019 |
|---|---|
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4,7-tetramethoxyphenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZWNNHPMXYWRRE-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -5.236 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.551 |
| Compound Name | 2,3,4,7-Tetramethoxyphenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 298.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.61190469090909 |
| Inchi | InChI=1S/C18H18O4/c1-19-13-7-8-14-11(9-13)5-6-12-10-15(20-2)17(21-3)18(22-4)16(12)14/h5-10H,1-4H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all