6-Geranyloxy-3-methyl-1,8-dihydroxyanthrone
PubChem CID: 23661636
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| Compound Synonyms | SCHEMBL16226974, SCHEMBL16226976, 6-geranyloxy-3-methyl-1,8-dihydroxyanthrone |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 633.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,8-dihydroxy-6-methyl-10H-anthracen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZAHZJSNPMSTJBM-LZYBPNLTSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.22 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.433 |
| Compound Name | 6-Geranyloxy-3-methyl-1,8-dihydroxyanthrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.5243758965517245 |
| Inchi | InChI=1S/C25H28O4/c1-15(2)6-5-7-16(3)8-9-29-20-13-19-12-18-10-17(4)11-21(26)23(18)25(28)24(19)22(27)14-20/h6,8,10-11,13-14,26-27H,5,7,9,12H2,1-4H3/b16-8+ |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OC/C=C(\C)/CCC=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Psorospermum Febrifugum (Plant) Rel Props:Source_db:cmaup_ingredients