cis-Isoeugenol
PubChem CID: 1549041
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| Compound Synonyms | cis-Isoeugenol, Isoeugenol cis-form, (Z)-Isoeugenol, 5912-86-7, cis-4-Propenylguaiacol, Isoeugenol (II), cis-2-Methoxy-4-propenylphenol, (Z)-2-Methoxy-4-(prop-1-enyl)phenol, iso-Eugenol 1, z-isoeugenol, 2-methoxy-4-[(Z)-prop-1-enyl]phenol, Phenol, 2-methoxy-4-propenyl-, (Z)-, UNII-2A4KEV8DNH, 2A4KEV8DNH, Isoeugenol, Z-, EINECS 227-633-7, Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-, BRN 1909603, CHEBI:50543, (Z)-2-methoxy-4-propenylphenol, ISOEUGENOL, CIS-, ISOEUGENOL, (Z)-, (Z)-4-PROPENYLGUAIACOL, 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenol, ISOEUGENOL CIS-FORM [MI], 4-06-00-06324 (Beilstein Handbook Reference), 2-Methoxy-4-[(1Z)-1-propenyl]phenol, 4-(1-Propenyl)-2-methoxyphenol, (Z)-, (Z)-2-Methoxy-4-(prop-1-en-1-yl)phenol, (Z)-2-METHOXY-4-(1-PROPENYL)PHENOL, 2-methoxy-4-((Z)-prop-1-enyl)phenol, 2-Methoxy-4-((1Z)-1-propenyl)phenol, 2-methoxy-4-((1Z)-prop-1-en-1-yl)phenol, SCHEMBL300766, CHEMBL445206, DTXSID901025644, BDBM50410487, DB-322123, NS00076586, 227-633-7 |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | C/C=Ccccccc6)OC)))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Phenols |
| Description | (z)-isoeugenol, also known as (Z)-2-methoxy-4-propenylphenol or cis-4-propenylguaiacol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety (z)-isoeugenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (z)-isoeugenol is a clove and spicy tasting compound found in cloves, which makes (z)-isoeugenol a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15207, n.a. |
| Iupac Name | 2-methoxy-4-[(Z)-prop-1-enyl]phenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJIOGJUNALELMI-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | -2.37 |
| Rotatable Bond Count | 2.0 |
| State | liquid |
| Logd | 2.878 |
| Synonyms | (Z)-2-Methoxy-4-(prop-1-enyl)phenol, (Z)-2-methoxy-4-propenylphenol, (z)-isoeugenol, 2-Methoxy-4-[(1Z)-1-propenyl]phenol, 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenol, 4-(1-Propenyl)-2-methoxyphenol (cis-isoeugenol), cis-2-Methoxy-4-propenylphenol, cis-4-Propenylguaiacol, Cis-isoeugenol, Isoeugenol (z), Isoeugenol cis-form, Isoeugenol z, Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-, Phenol, 2-methoxy-4-propenyl-, (Z)-, Z-Isoeugenol, (z)-isoeugenol, cis isoeugenol, cis-isoeugenol |
| Esol Class | Soluble |
| Functional Groups | c/C=CC, cO, cOC |
| Compound Name | cis-Isoeugenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.0112647999999997 |
| Inchi | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3- |
| Smiles | C/C=C\C1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
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FOUND_INto/from Heuchera Cylindrica (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Hyssopus Officinale (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 188. Outgoing r'ship
FOUND_INto/from Incarvillea Sinensis (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Jasminum Officinale (Plant) Rel Props:Reference: - 190. Outgoing r'ship
FOUND_INto/from Juglans Sinensis (Plant) Rel Props:Reference: - 191. Outgoing r'ship
FOUND_INto/from Levisticum Officinale (Plant) Rel Props:Reference: - 192. Outgoing r'ship
FOUND_INto/from Lithospermum Officinale (Plant) Rel Props:Reference: - 193. Outgoing r'ship
FOUND_INto/from Luffa Cylindrica (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Macaranga Sinensis (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1763 - 196. Outgoing r'ship
FOUND_INto/from Mannia Fragrans (Plant) Rel Props:Reference: - 197. Outgoing r'ship
FOUND_INto/from Menyanthes Trifoliata (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Miliusa Sinensis (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Miscanthus Sinensis (Plant) Rel Props:Reference: - 200. Outgoing r'ship
FOUND_INto/from Myristica Andamanica (Plant) Rel Props:Reference: - 201. Outgoing r'ship
FOUND_INto/from Myristica Argentea (Plant) Rel Props:Reference: - 202. Outgoing r'ship
FOUND_INto/from Myristica Cagayanensis (Plant) Rel Props:Reference: - 203. Outgoing r'ship
FOUND_INto/from Myristica Dactyloides (Plant) Rel Props:Reference: - 204. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 205. Outgoing r'ship
FOUND_INto/from Myristica Gigantea (Plant) Rel Props:Reference: - 206. Outgoing r'ship
FOUND_INto/from Myristica Malabarica (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Myristica Officinalis (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Myristica Otoba (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Nasturtium Officinale (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Neolitsea Cassia (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Neottia Sinensis (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Neptunia Oleracea (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Nyssa Sinensis (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Othonna Cylindrica (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Pelargonium Fragrans (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Peucedanum Officinale (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Pimenta Racemosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697952 - 219. Outgoing r'ship
FOUND_INto/from Polianthes Tuberosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1424651 - 220. Outgoing r'ship
FOUND_INto/from Polyalthia Fragrans (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Portulaca Grandiflora (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Portulaca Guadrifida (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Portulaca Obracea (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 225. Outgoing r'ship
FOUND_INto/from Portulaca Pilosa (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Portulaca Quadrifida (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Portulaca Tuberosa (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Pseudotsuga Sinensis (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Ptelea Trifoliata (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Saccharum Sinensis (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Sansevieria Cylindrica (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Schoenocaulon Officinale (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Scopolia Sinensis (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Selaginella Sinensis (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Sisymbrium Officinale (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Spilanthes Oleracea (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Spiranthes Sinensis (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Symphytum Officinale (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Syzygium Alternifolium (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Syzygium Aqueum (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 244. Outgoing r'ship
FOUND_INto/from Syzygium Caryophyllatum (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Syzygium Claviflorum (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Syzygium Cordatum (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Syzygium Cumini (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Syzygium Hemisphericum (Plant) Rel Props:Reference: - 249. Outgoing r'ship
FOUND_INto/from Syzygium Jambolanum (Plant) Rel Props:Reference: - 250. Outgoing r'ship
FOUND_INto/from Syzygium Jambos (Plant) Rel Props:Reference: - 251. Outgoing r'ship
FOUND_INto/from Syzygium Levinei (Plant) Rel Props:Reference: - 252. Outgoing r'ship
FOUND_INto/from Syzygium Malaccense (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Syzygium Nervosum (Plant) Rel Props:Reference: - 254. Outgoing r'ship
FOUND_INto/from Syzygium Polycephaloides (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Syzygium Praecox (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Syzygium Salicifolium (Plant) Rel Props:Reference: - 257. Outgoing r'ship
FOUND_INto/from Syzygium Samarangense (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Syzygium Travancoricum (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Syzygium Zeylanicum (Plant) Rel Props:Reference: - 260. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Thunbergia Fragrans (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Tillandsia Fragrans (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Tinospora Sinensis (Plant) Rel Props:Reference: - 264. Outgoing r'ship
FOUND_INto/from Toona Sinensis (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Uncaria Sinensis (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Walsura Trifoliata (Plant) Rel Props:Reference: - 267. Outgoing r'ship
FOUND_INto/from Wisteria Sinensis (Plant) Rel Props:Reference: - 268. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Reference: - 269. Outgoing r'ship
FOUND_INto/from Zingiber Capitatum (Plant) Rel Props:Reference: - 270. Outgoing r'ship
FOUND_INto/from Zingiber Cassumunar (Plant) Rel Props:Reference: - 271. Outgoing r'ship
FOUND_INto/from Zingiber Cernuum (Plant) Rel Props:Reference: - 272. Outgoing r'ship
FOUND_INto/from Zingiber Chrysanthum (Plant) Rel Props:Reference: - 273. Outgoing r'ship
FOUND_INto/from Zingiber Montanum (Plant) Rel Props:Reference: - 274. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 275. Outgoing r'ship
FOUND_INto/from Zingiber Purpureum (Plant) Rel Props:Reference: - 276. Outgoing r'ship
FOUND_INto/from Zingiber Roseum (Plant) Rel Props:Reference: - 277. Outgoing r'ship
FOUND_INto/from Zingiber Rubens (Plant) Rel Props:Reference: - 278. Outgoing r'ship
FOUND_INto/from Zingiber Spectabile (Plant) Rel Props:Reference: - 279. Outgoing r'ship
FOUND_INto/from Zingiber Zerumbet (Plant) Rel Props:Reference: - 280. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients - 281. Outgoing r'ship
FOUND_INto/from Zizyphus Abyssinica (Plant) Rel Props:Reference: - 282. Outgoing r'ship
FOUND_INto/from Zizyphus Glabrata (Plant) Rel Props:Reference: - 283. Outgoing r'ship
FOUND_INto/from Zizyphus Mauritiana (Plant) Rel Props:Reference: - 284. Outgoing r'ship
FOUND_INto/from Zizyphus Mucronata (Plant) Rel Props:Reference: - 285. Outgoing r'ship
FOUND_INto/from Zizyphus Nummularia (Plant) Rel Props:Reference: - 286. Outgoing r'ship
FOUND_INto/from Zizyphus Oenoplia (Plant) Rel Props:Reference: - 287. Outgoing r'ship
FOUND_INto/from Zizyphus Rugosa (Plant) Rel Props:Reference: - 288. Outgoing r'ship
FOUND_INto/from Zizyphus Vulgaris (Plant) Rel Props:Reference: