Zedoarolide B
PubChem CID: 73353446
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ZEDOAROLIDE B, (3aS,5S,5aS,8S,8aS)-3a,5,8-trihydroxy-1,5,8-trimethyl-4,5a,6,7,8a,9-hexahydroazuleno(6,5-b)furan-2-one, (3aS,5S,5aS,8S,8aS)-3a,5,8-trihydroxy-1,5,8-trimethyl-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan-2-one, CHEMBL2386518, 213833-36-4 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3aS,5S,5aS,8S,8aS)-3a,5,8-trihydroxy-1,5,8-trimethyl-4,5a,6,7,8a,9-hexahydroazuleno[6,5-b]furan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C15H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DXGIJGSOOPTGDC-LCLLMFOLSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.163 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.794 |
| Compound Name | Zedoarolide B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 282.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5526831999999997 |
| Inchi | InChI=1S/C15H22O5/c1-8-10-6-11-9(4-5-13(11,2)17)14(3,18)7-15(10,19)20-12(8)16/h9,11,17-19H,4-7H2,1-3H3/t9-,11-,13-,14-,15-/m0/s1 |
| Smiles | CC1=C2C[C@H]3[C@H](CC[C@]3(C)O)[C@@](C[C@@]2(OC1=O)O)(C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all