3,4,7-Trimethoxy-9,10-dihydrophenanthren-2-ol
PubChem CID: 44445441
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL401145 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3,4,7-trimethoxy-9,10-dihydrophenanthren-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QOROJTCHQYSUPK-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.441 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.361 |
| Compound Name | 3,4,7-Trimethoxy-9,10-dihydrophenanthren-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9820845428571428 |
| Inchi | InChI=1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(18)16(20-2)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C(=C(C=C3CC2)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Amoenum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Amplum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Aphyllum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Ariaeflorum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Aurantiacum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Dendrobium Capillipes (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Dendrobium Crepidatum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Dendrobium Cumulatum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Dendrobium Densiflorum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Dendrobium Devosianum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Dendrobium Macraei (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Dendrobium Macrostachyum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Dendrobium Moniliforme (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Dendrobium Moschatum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Dendrobium Polyanthum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Dendrobium Rotundatum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Dendrobium Secundum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Dendrobium Thyrsiflorum (Plant) Rel Props:Reference: