| Record Information |
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| Version | 2.0 |
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| Created at | 2024-05-11 10:24:52 UTC |
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| Updated at | 2025-02-11 15:46:11 UTC |
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| NP-MRD ID | NP0333143 |
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| Natural Product DOI | https://doi.org/10.57994/2443 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Hericenone P |
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| Description | Hericenone P belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Hericenone P was first documented in 2023 (PMID: 36661112). Based on a literature review a small amount of articles have been published on Hericenone P. |
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| Structure | CCCCCCCCCCCCCCCC(=O)OCC1=C(C=O)C(O)=C(CC\C(C)=C\C(=O)C=C(C)C)C(OC)=C1 InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(38)41-26-29-24-33(40-5)31(35(39)32(29)25-36)21-20-28(4)23-30(37)22-27(2)3/h22-25,39H,6-21,26H2,1-5H3/b28-23+ |
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| Synonyms | Not Available |
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| Chemical Formula | C35H54O6 |
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| Average Mass | 570.8110 Da |
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| Monoisotopic Mass | 570.39204 Da |
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| IUPAC Name | {4-[(3E)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate |
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| Traditional Name | {4-[(3E)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl}methyl hexadecanoate |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1=C(C=O)C(O)=C(CC\C(C)=C\C(=O)C=C(C)C)C(OC)=C1 |
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| InChI Identifier | InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(38)41-26-29-24-33(40-5)31(35(39)32(29)25-36)21-20-28(4)23-30(37)22-27(2)3/h22-25,39H,6-21,26H2,1-5H3/b28-23+ |
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| InChI Key | YOEFXNFQQHGXGJ-WEMUOSSPSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 400, CDCl3, simulated) | Not Available | Not Available | Not Available | 2024-05-11 | View Spectrum |
| | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Monoterpenoids |
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| Direct Parent | Aromatic monoterpenoids |
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| Alternative Parents | |
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| Substituents | - Aromatic monoterpenoid
- Benzyloxycarbonyl
- Methoxyphenol
- Monocyclic monoterpenoid
- Hydroxybenzaldehyde
- Anisole
- Phenoxy compound
- Benzaldehyde
- Benzoyl
- Phenol ether
- Methoxybenzene
- Aryl-aldehyde
- Phenol
- Alkyl aryl ether
- Fatty acid ester
- 1-hydroxy-4-unsubstituted benzenoid
- Fatty acyl
- Benzenoid
- Monocyclic benzene moiety
- Vinylogous acid
- Alpha,beta-unsaturated ketone
- Acryloyl-group
- Enone
- Ketone
- Carboxylic acid ester
- Ether
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Hydrocarbon derivative
- Aldehyde
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | 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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