Minheryin G
PubChem CID: 45267323
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Minheryin G, CHEBI:66394, (1alpha,3beta,5beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-1,3,7,14-tetrahydroxykaur-16-en-15-one, CHEMBL562256, DTXSID601215523, 1154517-66-4, Q27134950, (1I+/-,3I(2),7I+/-,14R)-1,3,7,14-Tetrahydroxykaur-16-en-15-one |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 642.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1R,2R,4R,6S,8S,9R,10S,13S,16R)-2,6,8,16-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C20H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FURKNFFYNZCRQG-AMIFZCDKSA-N |
| Fcsp3 | 0.85 |
| Logs | -3.1 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.684 |
| Compound Name | Minheryin G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6869210000000003 |
| Inchi | InChI=1S/C20H30O5/c1-9-10-5-6-11-19(4)12(18(2,3)13(21)8-14(19)22)7-15(23)20(11,16(9)24)17(10)25/h10-15,17,21-23,25H,1,5-8H2,2-4H3/t10-,11-,12+,13-,14-,15+,17+,19-,20-/m0/s1 |
| Smiles | C[C@]12[C@@H]3CC[C@@H]4[C@H]([C@@]3([C@@H](C[C@@H]1C([C@H](C[C@@H]2O)O)(C)C)O)C(=O)C4=C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Henryi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Isodon Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Pharicus (Plant) Rel Props:Source_db:cmaup_ingredients