| Record Information |
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| Version | 1.0 |
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| Created at | 2020-07-28 20:26:02 UTC |
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| Updated at | 2020-11-18 16:40:17 UTC |
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| CannabisDB ID | CDB006302 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Acequinocyl |
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| Description | acequinocyl belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). acequinocyl is an extremely weak basic (essentially neutral) compound (based on its pKa). An acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-(Acetyloxy)-3-dodecyl-1,4-naphthalenedione | ChEBI | | 3-Dodecyl-2-hydroxy-1,4-naphthoquinone acetate | ChEBI | | 3-Dodecyl-2-hydroxy-1,4-naphthoquinone acetic acid | Generator | | 3-Dodecyl-1,4-dihydro-1,4-dioxo-2-naphthylacetate | MeSH | | (3-Dodecyl-1,4-dioxonaphthalen-2-yl) acetic acid | Generator | | Acequinocyl | MeSH |
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| Chemical Formula | C24H32O4 |
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| Average Molecular Weight | 384.516 |
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| Monoisotopic Molecular Weight | 384.23005951 |
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| IUPAC Name | 3-dodecyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate |
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| Traditional Name | acequinocyl |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C2=CC=CC=C2C1=O |
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| InChI Identifier | InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3 |
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| InChI Key | QDRXWCAVUNHOGA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Naphthalenes |
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| Sub Class | Naphthoquinones |
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| Direct Parent | Naphthoquinones |
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| Alternative Parents | |
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| Substituents | - Naphthoquinone
- Aryl ketone
- Quinone
- Enol ester
- Ketone
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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