Homalomenol D
PubChem CID: 101712280
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Homalomenol D, (-)-homalomenol D, CHEBI:132871, rel-(1R,2R,5S,6S,7R,8R)-5-isopropyl-2,8-dimethyl-11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC(C1)C1CCCC21 |
| Np Classifier Class | Isodaucane sesquiterpenoids |
| Deep Smiles | CC[C@@H]CC[C@@][C@H]5[C@H]O[C@@H]5CC[C@@]6C)O))))))))C)))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2OC(C1)C1CCCC21 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2R,5S,6S,7R,8R)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-8-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O2 |
| Scaffold Graph Node Bond Level | C1CC2OC(C1)C1CCCC21 |
| Inchi Key | YEBFCABPNPSILV-RUDNTAQLSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | homalomenol d |
| Esol Class | Soluble |
| Functional Groups | CO, COC |
| Compound Name | Homalomenol D |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1 |
| Smiles | CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3[C@](CC[C@H]2O3)(C)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aletris Farinosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cadaba Farinosa (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cheilanthes Albomarginata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cheilanthes Bomarginata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cheilanthes Farinosa (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cheilanthes Fragrans (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cheilanthes Marantae (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cheilanthes Mysurensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Cheilanthes Rufa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Cheilanthes Swartzii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Cheilanthes Tenuifolia (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Citrullus Aromatica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Dryobalanops Aromatica (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Homalomena Aromatica (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Limnophila Aromatica (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Primula Farinosa (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Xylopia Aromatica (Plant) Rel Props:Reference: