Dendocarbin N
PubChem CID: 21592441
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| Compound Synonyms | Dendocarbin N, (1S,2R,3R,6R,8R,9R,10S)-1,11,11-trimethyl-4,7-dioxatetracyclo(8.4.0.02,6.06,8)tetradecane-3,9-diol, (1S,2R,3R,6R,8R,9R,10S)-1,11,11-trimethyl-4,7-dioxatetracyclo[8.4.0.02,6.06,8]tetradecane-3,9-diol, CHEMBL459606, 350986-87-7 |
|---|---|
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,2R,3R,6R,8R,9R,10S)-1,11,11-trimethyl-4,7-dioxatetracyclo[8.4.0.02,6.06,8]tetradecane-3,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NXTCJJUMPNBAFW-ALHFIFOXSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.223 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.484 |
| Compound Name | Dendocarbin N |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6503886 |
| Inchi | InChI=1S/C15H24O4/c1-13(2)5-4-6-14(3)9(13)8(16)11-15(19-11)7-18-12(17)10(14)15/h8-12,16-17H,4-7H2,1-3H3/t8-,9+,10-,11-,12-,14+,15+/m1/s1 |
| Smiles | C[C@]12CCCC([C@@H]1[C@H]([C@@H]3[C@]4([C@@H]2[C@@H](OC4)O)O3)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients