Lindenanolide H
PubChem CID: 497201
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| Compound Synonyms | Lindenanolide H, Cycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4-(acetyloxy)-4a,5,5a,6,6a,6b,7,7a-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS,7aS)- |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | [(1S,2R,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-2-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZCXZCIHPPHXGFL-VNQBEFROSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.85 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.929 |
| Compound Name | Lindenanolide H |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5100265999999998 |
| Inchi | InChI=1S/C17H20O4/c1-7-10-5-11(10)17(4)6-12-13(8(2)16(19)21-12)15(14(7)17)20-9(3)18/h10-12,14-15H,1,5-6H2,2-4H3/t10-,11-,12+,14-,15+,17+/m1/s1 |
| Smiles | CC1=C2[C@H](C[C@]3([C@@H]4C[C@@H]4C(=C)[C@@H]3[C@H]2OC(=O)C)C)OC1=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chukrasia Tabularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lindera Chunii (Plant) Rel Props:Source_db:cmaup_ingredients