Mucrolidin
PubChem CID: 14864716
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Mucrolidin, 227471-20-7, (1R,4S,4aS,5S,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol, CHEBI:132907, 1beta,4beta,6alpha-eudesmanetriol, 1beta,4beta,6alpha-Trihydroxyeudesmane, (+)-1beta,4beta,6alpha-eudesmanetriol, (+)-1beta,4beta,6alpha-trihydroxyeudesmane, (1R,4S,4aS,5S,6S,8aR)-4,8a-dimethyl-6-(propan-2-yl)decahydronaphthalene-1,4,5-triol, (1R,4S,4AS,5S,6S,8aR)-6-isopropyl-4,8a-dimethyldecahydronaphthalene-1,4,5-triol, 1b,4b,6a-Eudesmanetriol, 1b,4b,6a-Trihydroxyeudesmane, (+)-1b,4b,6a-Eudesmanetriol, CHEMBL3896842, (+)-1,4,6-Trihydroxyeudesmane, HY-N3241, (+)-1b,4b,6a-Trihydroxyeudesmane, AKOS032962294, FS-9621, DA-75799, CS-0023703 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,4S,4aS,5S,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFPWDWLORNWKSK-DEPYFDJDSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.348 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.455 |
| Compound Name | Mucrolidin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6424931999999997 |
| Inchi | InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(14)12(10)17/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1 |
| Smiles | CC(C)[C@@H]1CC[C@]2([C@@H](CC[C@]([C@@H]2[C@H]1O)(C)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citropsis Articulata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crotalaria Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients