Kikkanol D
PubChem CID: 10332558
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| Compound Synonyms | Kikkanol D, (1R,2R,3S,6E)-6-(hydroxymethyl)-10-methylidene-3-propan-2-ylcyclodec-6-ene-1,2-diol, CHEBI:81212, C17606, Q27155157, 281655-18-3 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,3S,6E)-6-(hydroxymethyl)-10-methylidene-3-propan-2-ylcyclodec-6-ene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C15H26O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DXLKOOQBJKRNLJ-AZTPNKIGSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.609 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.349 |
| Compound Name | Kikkanol D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 254.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0725939999999996 |
| Inchi | InChI=1S/C15H26O3/c1-10(2)13-8-7-12(9-16)6-4-5-11(3)14(17)15(13)18/h6,10,13-18H,3-5,7-9H2,1-2H3/b12-6+/t13-,14+,15+/m0/s1 |
| Smiles | CC(C)[C@@H]1CC/C(=C\CCC(=C)[C@H]([C@@H]1O)O)/CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients