(+)-Isodihydrocarvone
PubChem CID: 443167
Connections displayed (default: 10).
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| Compound Synonyms | (+)-isodihydrocarvone, 6909-25-7, (1S,4R)-Iso-dihydrocarvone, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2S,5R)-, UNII-2L4HMW8YQM, (1S,4R)-(+)-isodihydrocarvone, 2L4HMW8YQM, Dihydrocarvone, (+)-cis-, Menth-8-en-2-one, (1S,4R)-, (Z)-dihydrocarvone, (2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2S-cis)-, (2S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-one, cis-Isodihydrocarvone, cis-(+)-dihydrocarvone, (2S,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohexanone, (1S,4R)-isodihydrocarvone, ISODIHYDROCARVONE, D-, CHEBI:166, SCHEMBL2563912, (1S,4R)-menth-8-en-2-one, AZOCECCLWFDTAP-DTWKUNHWSA-N, DIHYDROCARVONE, CIS-(+)-, (1S,4R)-p-menth-8-en-2-one, LMPR0102090036, (2S,5R)-2-methyl-5-isopropenylcyclohexanone, (2S,5R)-5-isopropenyl-2-methylcyclohexanone, (2S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanone, Q27105267 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CC=C)[C@@H]CC[C@@H]C=O)C6))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | O=C1CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZOCECCLWFDTAP-DTWKUNHWSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7 |
| Logs | -2.171 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.115 |
| Synonyms | (z )-dihydrocarvone*****, (z)-dihydrocarvone |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC(C)=O |
| Compound Name | (+)-Isodihydrocarvone |
| Prediction Hob Swissadme | 0.0 |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.5133694 |
| Inchi | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1 |
| Smiles | C[C@H]1CC[C@H](CC1=O)C(=C)C |
| Nring | 8.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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FOUND_INto/from Cyperus Serotinus (Plant) Rel Props:Reference: - 201. Outgoing r'ship
FOUND_INto/from Cyperus Stoloniferus (Plant) Rel Props:Reference: - 202. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 203. Outgoing r'ship
FOUND_INto/from Elettaria Repens (Plant) Rel Props:Reference: - 204. Outgoing r'ship
FOUND_INto/from Euphrasia Vulgaris (Plant) Rel Props:Reference: - 205. Outgoing r'ship
FOUND_INto/from Falcaria Vulgaris (Plant) Rel Props:Reference: - 206. Outgoing r'ship
FOUND_INto/from Gendarussa Vulgaris (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Hippuris Vulgaris (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Jacobaea Vulgaris (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Lagenaria Vulgaris (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Linaria Vulgaris (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Neolitsea Cassia (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Odontites Vulgaris (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Opuntia Vulgaris (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Picea Vulgaris (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Pinguicula Vulgaris (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Polygala Vulgaris (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Prunella Vulgaris (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Quamoclit Vulgaris (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Rhus Vulgaris (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Satureja Vulgaris (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Senecio Vulgaris (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Silene Vulgaris (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Syringa Vulgaris (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Tetraria Capillaris (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Thymus Fedtschenkoi (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Thymus Kotschyanus (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Thymus Linearis (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Thymus Magnus (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Thymus Migricus (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Thymus Piperella (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Thymus Praecox (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Thymus Pulegioides (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 237. Outgoing r'ship
FOUND_INto/from Thymus Serpyllum (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Thymus Transcaucasicus (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 240. Outgoing r'ship
FOUND_INto/from Tilia Vulgaris (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Triticum Sativum (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Utricularia Vulgaris (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Zanthoxylum Americanum (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference: - 249. Outgoing r'ship
FOUND_INto/from Zanthoxylum Avicennae (Plant) Rel Props:Reference: - 250. Outgoing r'ship
FOUND_INto/from Zanthoxylum Belizense (Plant) Rel Props:Reference: - 251. Outgoing r'ship
FOUND_INto/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference: - 252. Outgoing r'ship
FOUND_INto/from Zanthoxylum Budrunga (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 254. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference: - 257. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dissitum (Plant) Rel Props:Reference: - 260. Outgoing r'ship
FOUND_INto/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Zanthoxylum Fagara (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Zanthoxylum Flavum (Plant) Rel Props:Reference: - 264. Outgoing r'ship
FOUND_INto/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Zanthoxylum Hostile (Plant) Rel Props:Reference: - 267. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference: - 268. Outgoing r'ship
FOUND_INto/from Zanthoxylum Limonella (Plant) Rel Props:Reference: - 269. Outgoing r'ship
FOUND_INto/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference: - 270. Outgoing r'ship
FOUND_INto/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference: - 271. Outgoing r'ship
FOUND_INto/from Zanthoxylum Nitidum (Plant) Rel Props:Reference: - 272. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference: - 273. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference: - 274. Outgoing r'ship
FOUND_INto/from Zanthoxylum Oxphyllum (Plant) Rel Props:Reference: - 275. Outgoing r'ship
FOUND_INto/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference: - 276. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 277. Outgoing r'ship
FOUND_INto/from Zanthoxylum Planispinum (Plant) Rel Props:Reference: - 278. Outgoing r'ship
FOUND_INto/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference: - 279. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference: - 280. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rubescens (Plant) Rel Props:Reference: - 281. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 282. Outgoing r'ship
FOUND_INto/from Zanthoxylum Simulans (Plant) Rel Props:Reference: - 283. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Reference: - 284. Outgoing r'ship
FOUND_INto/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference: - 285. Outgoing r'ship
FOUND_INto/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference: - 286. Outgoing r'ship
FOUND_INto/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference: - 287. Outgoing r'ship
FOUND_INto/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference: - 288. Outgoing r'ship
FOUND_INto/from Zanthoxylum Veneficium (Plant) Rel Props:Reference: - 289. Outgoing r'ship
FOUND_INto/from Zizyphus Vulgaris (Plant) Rel Props:Reference: