Carvone-5,6-oxide, cis-(-)-
PubChem CID: 11030188
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| Compound Synonyms | 18383-49-8, Carvone oxide, Carvone-5,6-oxide, cis-(-)-, cis-Carvone oxide, Carvone oxide, cis-, (1S,4R,6S)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one, TV5341W478, (1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one, DTXSID60171487, L-(-)-CARVONE CIS-EPOXIDE, 1,6-Epoxy-p-menth-8-en-2-one, (1S,4R,6S)-, P-Menth-8-en-2-one, 1,6-epoxy-, (1S,4R6S)-, FEMA NO. 4084, CIS-(-)-, 1-Methyl-4-(1-methylethenyl)-7-oxabicyclo(4.1.0)heptan-2-one, (1S-(1alpha,4beta,6alpha))-, 7-Oxabicyclo(4.1.0)heptan-2-one, 1-methyl-4-(1-methylethenyl)-, (1S-(1alpha,4beta,6alpha))-, P-MENTH-8-EN-2-ONE, 1,6-EPOXY-, (1S,4R,6S)-, 7-OXABICYCLO(4.1.0)HEPTAN-2-ONE, 1-METHYL-4-(1-METHYLETHENYL)-, (1S,4R,6S)-, trans-carvone oxide, 7-OXABICYCLO(4.1.0)HEPTAN-2-ONE, 1-METHYL-4-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,4.BETA.,6.ALPHA.))-, UNII-TV5341W478, DTXSID70865668, (1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo(4.1.0)heptan-2-one, (1S,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo(4.1.0)heptan-2-one, cis-(-)-carvone-5,6-oxide, DTXCID0093978, DTXCID20217850, NS00127656, G39938, EN300-1608166, Q27290410, Z1513601121, 641-405-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CC12 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CC=C)[C@H]CC=O)[C@@][C@H]C6)O3))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Oxepanes |
| Scaffold Graph Node Level | OC1CCCC2OC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | O=C1CCCC2OC12 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YGMNGQDLUQECTO-UJNFCWOMSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7 |
| Logs | -2.174 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.533 |
| Synonyms | cis-carvone oxide |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CC(=O)[C@@]1(C)O[C@H]1C |
| Compound Name | Carvone-5,6-oxide, cis-(-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| 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 |
| Esol | -1.793664 |
| Inchi | InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9-,10+/m0/s1 |
| Smiles | CC(=C)[C@@H]1C[C@H]2[C@](O2)(C(=O)C1)C |
| Nring | 2.0 |
| 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 Agnorhiza Bolanderi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anaxagorea Clavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Araujia Sericifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aria Pallescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Arnica Nevadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Monogyna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Bassia Butyracea (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Beyeria Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Bursaria Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Carya Illinoinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1409655 - 11. Outgoing r'ship
FOUND_INto/from Chloranthus Tianmushanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
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FOUND_INto/from Odixia Angusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
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