1,3,4,5,6,7-Hexamethoxy-1,4-dihydrophenanthrene
PubChem CID: 44577600
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| Compound Synonyms | CHEMBL450752 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,4,5,6,7-hexamethoxy-1,4-dihydrophenanthrene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C20H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SWBYAKHCJSRELV-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 1,3,4,5,6,7-Hexamethoxy-1,4-dihydrophenanthrene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 360.157 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 360.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6704325846153854 |
| Inchi | InChI=1S/C20H24O6/c1-21-13-10-15(23-3)18(24-4)17-12(13)8-7-11-9-14(22-2)19(25-5)20(26-6)16(11)17/h7-10,13,18H,1-6H3 |
| Smiles | COC1C=C(C(C2=C1C=CC3=CC(=C(C(=C32)OC)OC)OC)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calanthe Arisanensis (Plant) Rel Props:Source_db:cmaup_ingredients