Ningpogenin
PubChem CID: 11084315
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| Compound Synonyms | Ningpogenin, K8NEG7KA3D, UNII-K8NEG7KA3D, 94707-63-8, CHEMBL1172170, (3aR,4S,6aR)-3,3a,4,6a-Tetrahydro-2H-cyclopenta(b)furan-4,5-dimethanol, 2H-Cyclopenta(b)furan-4,5-dimethanol, 3,3a,4,6a-tetrahydro-, (3aR,4S,6aR)-, 2H-Cyclopenta(b)furan-4,5-dimethanol, 3,3a,4,6a-tetrahydro-, (3ar-(3aalpha,4beta,6aalpha))-, BDBM50482369, ((3AR,4S,6aR)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4,5-diyl)dimethanol, (3aR,4S,6aR)-3,3a,4,6a-Tetrahydro-2H-cyclopenta[b]furan-4,5-diyldimethanol, [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol, 2H-CYCLOPENTA(B)FURAN-4,5-DIMETHANOL, 3,3A,4,6A-TETRAHYDRO-, (3AR-(3A.ALPHA.,4.BETA.,6A.ALPHA.))- |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q965D5 |
| Iupac Name | [(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C9H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCZMBBWKHAYATJ-HLTSFMKQSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -0.545 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.336 |
| Compound Name | Ningpogenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 170.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.11438959999999976 |
| Inchi | InChI=1S/C9H14O3/c10-4-6-3-9-7(1-2-12-9)8(6)5-11/h3,7-11H,1-2,4-5H2/t7-,8-,9+/m1/s1 |
| Smiles | C1CO[C@@H]2[C@H]1[C@@H](C(=C2)CO)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scrophularia Lepidota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all