Linderene
PubChem CID: 497203
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| Compound Synonyms | Lindenenol, 26146-27-0, Linderene, Linderenol, Cycloprop[2,3]indeno[5,6-b]furan-4-ol, 4,4a,5,5a,6,6a,6b,7-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS)-, (1S,2R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol, (4R,4aS,5aS,6aR,6bS)-3,6b-Dimethyl-5-methylene-4,4a,5,5a,6,6a,6b,7-octahydrocyclopropa[2,3]indeno[5,6-b]furan-4-ol, Cycloprop(2,3)indeno(5,6-b)furan-4-ol, 4,4a,5,5a,6,6a,6b,7-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS)-, CHEBI:80844, DTXSID40949025, HY-N2061, s3280, AKOS015896735, AC-34845, DA-64981, MS-23312, CS-0018550, C16988, Q27151341, 3,6b-Dimethyl-5-methylidene-4,4a,5,5a,6,6a,6b,7-octahydrocyclopropa[2,3]indeno[5,6-b]furan-4-ol |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XRDJYSVGPBJZSG-PSDLAXTLSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.906 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.068 |
| Compound Name | Linderene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8337504588235296 |
| Inchi | InChI=1S/C15H18O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10,13-14,16H,2,4-5H2,1,3H3/t9-,10-,13-,14+,15+/m1/s1 |
| Smiles | CC1=COC2=C1[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(C2)C)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 Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients