Record Information |
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Version | 2.0 |
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Created at | 2022-03-17 21:03:09 UTC |
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Updated at | 2022-03-17 21:03:09 UTC |
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NP-MRD ID | NP0048849 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cirsiliol |
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Description | Cirsiliol is found in Achillea ageratum, Achillea millefolium, Achillea setacea, Ageratina havanensis, Aloysia citrodora, Fridericia platyphylla, Artemisia annua, Artemisia xanthochroa, Baccharis flabellata, Baccharis genistelloides, Brickellia dentata, Calanticaria greggii, Centaurea gigantea, Cirsium lineare, Ferula aucheri, Isodon angustifolius, Isodon japonicus, Isodon rubescens, Isodon tenuifolius, Lantana fucata , Lantana montevidensis, Leucocyclus formosus, Lippia citriodora , Phyla nodiflora, Lycopus europaeus, Ocimum kilimandscharicum, Passiflora menispermifolia, Salvia columbariae , Salvia dorrii, Salvia guaranitica, Salvia guranitica, Salvia hypoleuca, Salvia lavandulaefolia, Salvia limbata, Salvia lineata, Salvia macrosiphon, Salvia montbretii, Salvia rhyacophila, Salvia stenophylla , Salvia verbenaca , Sideritis leucantha, Teucrium chamaedrys, Teucrium divaricatum, Teucrium gnaphalodes, Teucrium kotschyanum, Teucrium montanum, Teucrium nudicaule, Teucrium oliverianum, Teucrium polium, Teucrium stocksianum, Thymus herba-barona and Wilkesia hobdyi. Cirsiliol was first documented in 2013 (PMID: 23902763). |
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Structure | COC1=CC2=C(C(=O)C=C(O2)C2=CC(O)=C(O)C=C2)C(O)=C1OC InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3 |
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Synonyms | Value | Source |
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3',4',5-Trihydroxy-6,7-dimethoxyflavone | ChEBI | 6,7-Dimethoxy-5,3',4'-trihydroxyflavone | ChEBI | 3',4',5-Trihydroxy-6,7-dimethoxy-flavone | MeSH |
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Chemical Formula | C17H14O7 |
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Average Mass | 330.2889 Da |
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Monoisotopic Mass | 330.07395 Da |
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IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one |
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Traditional Name | cirsiliol |
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CAS Registry Number | 34334-69-5 |
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SMILES | COC1=CC2=C(C(=O)C=C(O2)C2=CC(O)=C(O)C=C2)C(O)=C1OC |
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InChI Identifier | InChI=1S/C17H14O7/c1-22-14-7-13-15(16(21)17(14)23-2)11(20)6-12(24-13)8-3-4-9(18)10(19)5-8/h3-7,18-19,21H,1-2H3 |
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InChI Key | IMEYGBIXGJLUIS-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available |
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Predicted Spectra |
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| Not Available |
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Chemical Shift Submissions |
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| Not Available |
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Species |
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Species of Origin | | Show more...
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | O-methylated flavonoids |
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Direct Parent | 7-O-methylated flavonoids |
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Alternative Parents | |
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Substituents | - 7-methoxyflavonoid-skeleton
- 6-methoxyflavonoid-skeleton
- 3'-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- Chromone
- Benzopyran
- 1-benzopyran
- Anisole
- Catechol
- Alkyl aryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Benzenoid
- Pyran
- Monocyclic benzene moiety
- Vinylogous acid
- Heteroaromatic compound
- Ether
- Organoheterocyclic compound
- Oxacycle
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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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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