Actinidione
PubChem CID: 11559771
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| Compound Synonyms | actinidione, 12,18-dihydroxy-4,5-dimethoxytricyclo(13.3.1.02,7)nonadeca-1(18),2(7),4,15(19),16-pentaene-3,6-dione, 12,18-dihydroxy-4,5-dimethoxytricyclo[13.3.1.02,7]nonadeca-1(18),2(7),4,15(19),16-pentaene-3,6-dione, CHEMBL483238 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 662.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12,18-dihydroxy-4,5-dimethoxytricyclo[13.3.1.02,7]nonadeca-1(18),2(7),4,15(19),16-pentaene-3,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C21H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BYPFMKISMDPPHB-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.857 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.717 |
| Compound Name | Actinidione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 372.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.052529844444445 |
| Inchi | InChI=1S/C21H24O6/c1-26-20-18(24)14-6-4-3-5-13(22)9-7-12-8-10-16(23)15(11-12)17(14)19(25)21(20)27-2/h8,10-11,13,22-23H,3-7,9H2,1-2H3 |
| Smiles | COC1=C(C(=O)C2=C(C1=O)CCCCC(CCC3=CC2=C(C=C3)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients