Neroplomacrol
PubChem CID: 46209781
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Neroplomacrol, 2-((5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl)propan-2-ol, 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol, CHEMBL1099260, 3,10-epoxy-3,7,11-trimethyldodeca-1,6-dien-11-ol,, 2-[(5Z)-5,9-dimethyl-9-vinyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(5Z)-9-ethenyl-5,9-dimethyl-3,4,7,8-tetrahydro-2H-oxonin-2-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LWYUSWLRBKNRLB-WQLSENKSSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.427 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.597 |
| Compound Name | Neroplomacrol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9058002 |
| Inchi | InChI=1S/C15H26O2/c1-6-15(5)11-7-8-12(2)9-10-13(17-15)14(3,4)16/h6,8,13,16H,1,7,9-11H2,2-5H3/b12-8- |
| Smiles | C/C/1=C/CCC(OC(CC1)C(C)(C)O)(C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oplopanax Horridus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all