4a,5,5a,6,6a,6b,7,7a-Octahydro-7,7a-dihydroxy-3,6b-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-2(4H)-one
PubChem CID: 101603249
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| Compound Synonyms | 4a,5,5a,6,6a,6b,7,7a-Octahydro-7,7a-dihydroxy-3,6b-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-2(4H)-one |
|---|---|
| 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 | 0.0 |
| Iupac Name | 7,8-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 | 0.4 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJLXBYGPGVKTBK-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.633 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.896 |
| Compound Name | 4a,5,5a,6,6a,6b,7,7a-Octahydro-7,7a-dihydroxy-3,6b-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-2(4H)-one |
| 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 | -1.7182909999999998 |
| Inchi | InChI=1S/C15H18O4/c1-6-8-4-11(8)14(3)9(6)5-10-7(2)12(16)19-15(10,18)13(14)17/h8-9,11,13,17-18H,1,4-5H2,2-3H3 |
| Smiles | CC1=C2CC3C(=C)C4CC4C3(C(C2(OC1=O)O)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sarcandra Glabra (Plant) Rel Props:Source_db:cmaup_ingredients