CID 10881512
PubChem CID: 10881512
Connections displayed (default: 10).
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| Compound Synonyms | Hainanolidol, 73213-63-5, AKOS040763293 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 755.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,11S,12S,13R,16S,17R)-17-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGXBIRLBBHSIBS-FCFJDMCNSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -4.137 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.406 |
| Compound Name | CID 10881512 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7292803913043482 |
| Inchi | InChI=1S/C19H20O4/c1-8-5-11(20)6-10-3-4-19-9(2)16(21)17(23-18(19)22)13-7-12(8)14(10)15(13)19/h5-6,9,13,15-17,21H,3-4,7H2,1-2H3/t9-,13+,15+,16-,17-,19-/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@H]2[C@H]3CC4=C5[C@H]3[C@]1(CCC5=CC(=O)C=C4C)C(=O)O2)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cephalotaxus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients