Guatterin A
PubChem CID: 643652
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| Compound Synonyms | Guatterin A, 3-Hydroxymethyl-7,11-dimethyl-cyclododeca-2,6,10-trienol, (2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol, 1,5,9-cyclododecatriene-1-methanol, 3-hydroxy-5,9-dimethyl-, (1E,3R,5E,9E)-, 443129-78-0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R,2E,6E,10E)-3-(hydroxymethyl)-7,11-dimethylcyclododeca-2,6,10-trien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RCJTUBLQPQRESN-FJOWFKQPSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.045 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.431 |
| Compound Name | Guatterin A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -2.1970009999999998 |
| Inchi | InChI=1S/C15H24O2/c1-12-5-3-7-13(2)9-15(17)10-14(11-16)8-4-6-12/h6-7,10,15-17H,3-5,8-9,11H2,1-2H3/b12-6+,13-7+,14-10+/t15-/m1/s1 |
| Smiles | C/C/1=C\CC/C(=C\[C@@H](C/C(=C/CC1)/C)O)/CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Podocarpus Nubigenus (Plant) Rel Props:Source_db:cmaup_ingredients