Conduritol B Epoxide
PubChem CID: 119054
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | conduritol b epoxide, 6090-95-5, 1,2-Anhydro-myo-inositol, (1r,2r,3s,4s,5r,6s)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol, (1R,2R,3S,4S,5R,6S)-7-Oxabicyclo[4.1.0]heptane-2,3,4,5-tetraol, myo-Inositol, 1,2-anhydro-, CHEMBL291020, DTXSID1044069, CHEBI:67233, NHM754Q310, Conduritol B-epoxide, INOSITOL, 1,2-ANHYDRO-, MYO-, 133319-97-8, UNII-NHM754Q310, 1D-conduritol B epoxide, Conduritol B Epoxide, 2, Conduritol B EpoxideCBE?, Conduritol B Epoxide (CBE), DL-1,2-Anhydro-myo-inositol, 1,2-anhydro-myo-inositol NIST, 1-D-1,2-anhydro-myo-inositol, DTXCID8065240, SCHEMBL14973473, CHEBI:67229, ZHMWOVGZCINIHW-FTYOSCRSSA-N, DTXSID501046066, HMS2090L20, EX-A2299, (1S,2R,3S,4S,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol, BDBM50078114, AKOS030530787, CS-6107, FC20550, DL-MYO-INOSITOL, 1,2-ANHYDRO-, AC-36018, AS-57318, Conduritol B Epoxide (Conduritol Epoxide), HY-100944, SR-05000001525, SR-05000001525-1, Q27135706, ((1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol, (+)-(1R,2R,3S,4S,5R,6S)-2,3,4,5-tetraol-7-oxabicyclo[4.1.0]heptane, (1R,2R,3S,4S,5R,6S)-2,3,4,5-tetraol-7-oxabicyclo[4.1.0]heptane, (1R,2R,3S,4S,5R,6S)a7-Oxabicyclo[4.1.0]heptanea2,3,4,5atetrol, (1S,2R,3S,4S,5R,6R)-7-Oxa-bicyclo[4.1.0]heptane-2,3,4,5-tetraol, Conduritol B Epoxide (CBE) is known as a beta-glucosidase inhibitor., rel-(1R,2R,3S,4S,5R,6S)-7-Oxabicyclo[4.1.0]heptane-2,3,4,5-tetraol, 640-236-7 |
|---|---|
| Topological Polar Surface Area | 93.5 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | P17439, P04062 |
| Iupac Name | (1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol |
| Prediction Hob | 1.0 |
| Target Id | NPT61 |
| Xlogp | -2.7 |
| Molecular Formula | C6H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHMWOVGZCINIHW-FTYOSCRSSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.283 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.489 |
| Compound Name | Conduritol B Epoxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 162.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8620258000000001 |
| Inchi | InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1 |
| Smiles | [C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marsdenia Tenacissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all