1-(2-Hydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthren-1-yl)-3,4,7-trimethoxy-9,10-dihydrophenanthren-2-ol
PubChem CID: 24762427
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL253764, SCHEMBL23203388 |
|---|---|
| Topological Polar Surface Area | 95.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 818.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-(2-hydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthren-1-yl)-3,4,7-trimethoxy-9,10-dihydrophenanthren-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C34H34O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHZIKJUILFCXKY-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -6.485 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.662 |
| Compound Name | 1-(2-Hydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthren-1-yl)-3,4,7-trimethoxy-9,10-dihydrophenanthren-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 570.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 570.225 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 570.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.440112742857144 |
| Inchi | InChI=1S/C34H34O8/c1-37-19-9-13-21-17(15-19)7-11-23-25(21)31(39-3)33(41-5)29(35)27(23)28-24-12-8-18-16-20(38-2)10-14-22(18)26(24)32(40-4)34(42-6)30(28)36/h9-10,13-16,35-36H,7-8,11-12H2,1-6H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(CC2)C(=C(C(=C3OC)OC)O)C4=C(C(=C(C5=C4CCC6=C5C=CC(=C6)OC)OC)OC)O |
| Nring | 6.0 |
| 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: