Artemiseole
PubChem CID: 521927
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| Compound Synonyms | Artemiseole, DTXSID80880781, 1,6,6-Trimethyl-4-ethenyl-exo-2-oxabicyclo[3.1.0] hexane, 60485-46-3, 1,6,6-Trimethyl-4-ethenyl-exo-2-oxabicyclo(3.1.0) hexane, DTXCID101022139, NS00096295, Q67879700, 1,4,4-Trimethyl-6-vinyl-3-oxabicyclo[3.1.0]hexane # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC2C1 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CCCC3C)COC5C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Oxanes |
| Scaffold Graph Node Level | C1OCC2CC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethenyl-1,4,4-trimethyl-3-oxabicyclo[3.1.0]hexane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1OCC2CC12 |
| Inchi Key | HHDOWVHECSBICN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | artemiseole |
| Esol Class | Soluble |
| Functional Groups | C=CC, COC |
| Compound Name | Artemiseole |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| 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/C10H16O/c1-5-7-8-9(2,3)11-6-10(7,8)4/h5,7-8H,1,6H2,2-4H3 |
| Smiles | CC1(C2C(C2(CO1)C)C=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Nuda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1407678 - 2. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1107512