3,6-diepi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol
PubChem CID: 6429156
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| Compound Synonyms | 3,6-diepi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol, 6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol, LJPFBTWRZZGKFP-UHFFFAOYSA-N, 3-epi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol, 6-epi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-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 | CC1CCCC1 |
| Np Classifier Class | Acyclic monoterpenoids, Farnesane sesquiterpenoids |
| Deep Smiles | C=CCCCCOCCC5=C)))C=CC)C))))))))O)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCOC1 |
| Classyfire Subclass | Terpene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-5-[3-methylidene-5-(2-methylprop-1-enyl)oxolan-2-yl]pent-1-en-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O2 |
| Scaffold Graph Node Bond Level | C=C1CCOC1 |
| Inchi Key | LJPFBTWRZZGKFP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3,6-diepi-6,9-epoxyfarnesa-1,7(14),10-trien-3-ol, 3-epi-6,9-epoxyfarnesa-1,7(14),10-trien-3-ol, 6,9-epoxyfarnesa-1,7(14),10-trien-3-ol, 6-epi-6,9-epoxyfarnesa-1,7(14),10-trien-3-ol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, C=CC, CC=C(C)C, CO, COC |
| Compound Name | 3,6-diepi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O2/c1-6-15(5,16)8-7-14-12(4)10-13(17-14)9-11(2)3/h6,9,13-14,16H,1,4,7-8,10H2,2-3,5H3 |
| Smiles | CC(=CC1CC(=C)C(O1)CCC(C)(C=C)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids, Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ajania Fruticulosa (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199903/04)14:2<112::aid-ffj786>3.0.co;2-1 - 2. Outgoing r'ship
FOUND_INto/from Tanacetum Nubigenum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643659