Myristicin
PubChem CID: 4276
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| Compound Synonyms | Myristicin, 607-91-0, Myristicine, 6-Allyl-4-methoxy-1,3-benzodioxole, Myristicin (6CI), 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene, 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, CCRIS 6782, 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-, HSDB 3516, Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-, EINECS 210-146-9, 5-Allyl-2,3-(methylendioxy)anisole, BRN 0166218, 04PD6CT78W, DTXSID1025693, CHEBI:68234, MYRISTICIN [MI], MFCD00133549, MYRISTICIN [HSDB], 6-allyl-4-methoxybenzo[d][1,3]dioxole, 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole, DTXCID605693, 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole, 5-19-02-00631 (Beilstein Handbook Reference), 1-Allyl-3-methoxy-4,5-methylenedioxybenzene, 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene, 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI, 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene, 5-ALLYL-1-METHOXY-2,3-METHYLENEDIOXYBENZENE, UNII-04PD6CT78W, Myristicin_major, 4-methoxy-6-prop-2-enyl-1,3-benzodioxole, Myristicin (Standard), SCHEMBL68041, MLS001065535, 6Allyl4methoxy1,3benzodioxole, Myristicin, analytical standard, CHEMBL481044, HY-N2510R, HMS2270K14, HY-N2510, Tox21_200172, 4Methoxy6(2propenyl)1,3benzodioxole, BDBM50242966, s3291, STK693140, 6-allyl-4-methoxy-benzo-1,3-dioxole, AKOS005604763, CCG-208543, FM26113, 1,3Benzodioxole, 4methoxy6(2propenyl), 5Allyl1methoxy2,3(methylenedioxy)benzene, NCGC00091427-01, NCGC00091427-02, NCGC00257726-01, 1ST40367, AC-34678, CAS-607-91-0, DA-75834, MS-23038, SMR000112534, Benzene, 5allyl1methoxy2,3(methylenedioxy), CS-0022781, NS00017756, C10480, 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole, Q414057, SR-01000838340, 6-ALLYL-1,3-BENZODIOXOL-4-YL METHYL ETHER, SR-01000838340-3, 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-(9CI), 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI), 210-146-9, 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 6-Allyl-4-methoxy-1,3-benzodioxole, 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | C=CCcccOC))ccc6)OCO5 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzodioxoles |
| Description | Constituent of dill, nutmeg, parsley and many other essential oils. May be responsible for psychotic effects of nutmeg at large doses Myristicin, 3-methoxy,4,5-methylendioxy-allylbenzene, is a natural organic compound present in the essential oil of nutmeg and to a lesser extent in other spices such as parsley and dill. Myristicin is a naturally occurring insecticide and acaricide with possible neurotoxic effects on dopaminergic neurons[citation needed]. It has hallucinogenic properties at doses much higher than used in cooking. Myristicin is a weak inhibitor of monoamine oxidase. Myristicin is found in many foods, some of which are parsley, pepper (spice), wild carrot, and highbush blueberry. |
| Scaffold Graph Node Level | C1CCC2OCOC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16637, P00352, P08684, Q9UNA4, Q03181, O75496, O42275, P81908, P62575 |
| Iupac Name | 4-methoxy-6-prop-2-enyl-1,3-benzodioxole |
| Prediction Hob | 1.0 |
| Class | Benzodioxoles |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT93, NPT94, NPT109 |
| Xlogp | 2.9 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H12O3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)OCO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BNWJOHGLIBDBOB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2727272727272727 |
| Logs | -3.247 |
| Rotatable Bond Count | 3.0 |
| State | Liquid |
| Logd | 2.743 |
| Synonyms | 1-Allyl-3-methoxy-4,5-methylenedioxybenzene, 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene, 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-, 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI), 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI, 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole, 5-Allyl-1-methoxy-2,3-(methylenedioxy)-benzene, 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene, 5-Allyl-2,3-(methylendioxy)anisole, 6-Allyl-4-methoxy-1,3-benzodioxole, Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-, Myristicin (6CI), Myristicin from parsley leaf oil, Myristicine, Asaricin, 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9ci), 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9ci, Myristicin (6ci), miristicin, myristicin, myristicine |
| Esol Class | Soluble |
| Functional Groups | C=CC, c1cOCO1, cOC |
| Compound Name | Myristicin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 192.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.003069657142857 |
| Inchi | InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3 |
| Smiles | COC1=CC(=CC2=C1OCO2)CC=C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzodioxoles |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Leucostomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alpinia Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698218 - 3. Outgoing r'ship
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FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Anethum Sowa (Plant) Rel Props:Reference:ISBN:9788172361150 - 8. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
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FOUND_INto/from Lophocolea Bidentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 115. Outgoing r'ship
FOUND_INto/from Lophozonia Menziesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 116. Outgoing r'ship
FOUND_INto/from Lotus Ucrainicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 117. Outgoing r'ship
FOUND_INto/from Luvunga Scandens (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362461 - 118. Outgoing r'ship
FOUND_INto/from Lycopus Europaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 119. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.986 - 120. Outgoing r'ship
FOUND_INto/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206 - 121. Outgoing r'ship
FOUND_INto/from Myristica Cagayanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 122. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 123. Outgoing r'ship
FOUND_INto/from Nigella Sativa (Plant) Rel Props:Reference:ISBN:9770972795006 - 124. Outgoing r'ship
FOUND_INto/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199803/04)13:2<107::aid-ffj701>3.0.co;2-g - 125. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199803/04)13:2<107::aid-ffj701>3.0.co;2-g - 126. Outgoing r'ship
FOUND_INto/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199803/04)13:2<107::aid-ffj701>3.0.co;2-g - 127. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 128. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698679 - 129. Outgoing r'ship
FOUND_INto/from Palafoxia Texana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 130. Outgoing r'ship
FOUND_INto/from Panax Innovans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 131. Outgoing r'ship
FOUND_INto/from Pancratium Trianthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 132. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 133. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753 - 134. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 135. Outgoing r'ship
FOUND_INto/from Persea Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 136. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 137. Outgoing r'ship
FOUND_INto/from Phebalium Dentatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 138. Outgoing r'ship
FOUND_INto/from Phlomoides Umbrosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.764184 - 139. Outgoing r'ship
FOUND_INto/from Phyllanthus Oligospermus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 140. Outgoing r'ship
FOUND_INto/from Pimpinella Acuminata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699100 - 141. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:fooddb_chem_all - 142. Outgoing r'ship
FOUND_INto/from Piper Aduncum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<269::aid-ffj744>3.0.co;2-a - 143. Outgoing r'ship
FOUND_INto/from Piper Mullesua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701214 - 144. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 145. Outgoing r'ship
FOUND_INto/from Piper Pedicellosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 146. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 147. Outgoing r'ship
FOUND_INto/from Plectranthus Glandulosus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199803/04)13:2<107::aid-ffj701>3.0.co;2-g - 148. Outgoing r'ship
FOUND_INto/from Polygonum Flaccidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 149. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 150. Outgoing r'ship
FOUND_INto/from Pseudocinchona Pachyceras (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 151. Outgoing r'ship
FOUND_INto/from Pseudowintera Colorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 152. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643568 - 153. Outgoing r'ship
FOUND_INto/from Pycnocycla Aucherana (Plant) Rel Props:Reference:ISBN:9788185042114 - 154. Outgoing r'ship
FOUND_INto/from Quercus Imbricaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 155. Outgoing r'ship
FOUND_INto/from Rabdosia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 156. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 157. Outgoing r'ship
FOUND_INto/from Rhodotypos Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 158. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226 - 159. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699795 - 160. Outgoing r'ship
FOUND_INto/from Sanguisorba Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 161. Outgoing r'ship
FOUND_INto/from Sassafras Albidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700592 - 162. Outgoing r'ship
FOUND_INto/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206 - 163. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 164. Outgoing r'ship
FOUND_INto/from Scrophularia Koelzii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 165. Outgoing r'ship
FOUND_INto/from Scutellaria Sieberi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 166. Outgoing r'ship
FOUND_INto/from Smilax Bracteata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 167. Outgoing r'ship
FOUND_INto/from Solanum Andigena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 168. Outgoing r'ship
FOUND_INto/from Spiracantha Cornifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 169. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 170. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(200001/02)15:1<12::aid-ffj858>3.0.co;2-v - 171. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 172. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 173. Outgoing r'ship
FOUND_INto/from Tilia Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699255 - 174. Outgoing r'ship
FOUND_INto/from Trachyspermum Ammi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700979 - 175. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 176. Outgoing r'ship
FOUND_INto/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 177. Outgoing r'ship
FOUND_INto/from Tylophora Tanakae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 178. Outgoing r'ship
FOUND_INto/from Tynanthus Panurensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 179. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 180. Outgoing r'ship
FOUND_INto/from Vepris Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 181. Outgoing r'ship
FOUND_INto/from Virola Surinamensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 182. Outgoing r'ship
FOUND_INto/from Vitex Trifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 183. Outgoing r'ship
FOUND_INto/from Xanthostemon Oppositifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 184. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients