| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:01:48 UTC |
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| Update Date | 2020-04-22 18:56:17 UTC |
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| BMDB ID | BMDB0096137 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | beta-Zearalenol |
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| Description | beta-Zearalenol, also known as β-zearalenol, belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Based on a literature review a small amount of articles have been published on beta-Zearalenol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| b-Zearalenol | Generator | | Β-zearalenol | Generator | | beta-trans-Zearalenol | HMDB | | (3R,7R,11E)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one | HMDB | | alpha-Zearalenol, (cis)-isomer | HMDB | | Zearalenol | HMDB | | (-)-beta-Zearalenol | HMDB | | 3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one | HMDB | | alpha-Zearalenol | HMDB | | beta-Zearalenol | MeSH |
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| Chemical Formula | C18H24O5 |
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| Average Molecular Weight | 320.3802 |
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| Monoisotopic Molecular Weight | 320.162373878 |
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| IUPAC Name | (3R,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one |
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| Traditional Name | (3R,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-2-benzoxacyclotetradecin-1-one |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1CCC[C@H](O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1 |
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| InChI Identifier | InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m1/s1 |
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| InChI Key | FPQFYIAXQDXNOR-SXIUOJOQSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Macrolides and analogues |
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| Sub Class | Not Available |
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| Direct Parent | Macrolides and analogues |
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| Alternative Parents | |
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| Substituents | - Macrolide
- Dihydroxybenzoic acid
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Vinylogous acid
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Carboxylic acid derivative
- Polyol
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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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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| Spectra |
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| Spectra | |
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