Resorstatin
PubChem CID: 198749
Connections displayed (default: 10).
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| Compound Synonyms | Resorstatin, 139552-96-8, 2-hexyl-5-pentylbenzene-1,3-diol, 1,3-Benzenediol, 2-hexyl-5-pentyl-, 2-Hexyl-5-pentyl-1,3-benzenediol, KDC 165, MZ5A7Y6X4C, 2-n-hexyl-5-n-pentyl-1,3-benzenediol, 2-hexyl-5-pentylresorcinol, DTXSID00161100, starbld0005149, UNII-MZ5A7Y6X4C, CHEMBL496838, DTXCID0083591, SCHEMBL17867326, CHEBI:195466, AKOS040753732 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexyl-5-pentylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C17H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GAZJVWPMPITOLB-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.129 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.711 |
| Compound Name | Resorstatin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.277020010526314 |
| Inchi | InChI=1S/C17H28O2/c1-3-5-7-9-11-15-16(18)12-14(13-17(15)19)10-8-6-4-2/h12-13,18-19H,3-11H2,1-2H3 |
| Smiles | CCCCCCC1=C(C=C(C=C1O)CCCCC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Centaurea Aspera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hyptis Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pteris Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all