Strychnistenolide
PubChem CID: 15484712
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| Compound Synonyms | Strychnistenolide, 332372-09-5, (1S,2R,9S,10R,12S)-2,7-dihydroxy-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one, HY-N10924, AKOS040735065, DA-58132 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2R,9S,10R,12S)-2,7-dihydroxy-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CMOIXESTWPHDCC-MOGPIVFESA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.79 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.946 |
| Compound Name | Strychnistenolide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6363909999999997 |
| Inchi | InChI=1S/C15H18O4/c1-6-8-4-9(8)14(3)5-15(18)11(12(16)10(6)14)7(2)13(17)19-15/h8-10,12,16,18H,1,4-5H2,2-3H3/t8-,9-,10-,12-,14+,15?/m1/s1 |
| Smiles | CC1=C2[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(CC2(OC1=O)O)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients