Record Information |
---|
Version | 1.0 |
---|
Created at | 2023-08-17 08:00:38 UTC |
---|
Updated at | 2024-04-19 09:50:54 UTC |
---|
NP-MRD ID | NP0331768 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Fimbricalyxinlignan A |
---|
Description | Curcasinlignan B belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. It was first documented in 2023 (PMID: 37586803). Based on a literature review a significant number of articles have been published on Curcasinlignan B (PMID: 37586802) (PMID: 37586801) (PMID: 37586799) (PMID: 37586797). |
---|
Structure | COC1=CC(=CC(O)=C1)[C@H]1OC2=C(C=C(C=O)C=C2OC)[C@@H]1CO InChI=1S/C18H18O6/c1-22-13-6-11(5-12(21)7-13)17-15(9-20)14-3-10(8-19)4-16(23-2)18(14)24-17/h3-8,15,17,20-21H,9H2,1-2H3/t15-,17+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C18H18O6 |
---|
Average Mass | 330.3360 Da |
---|
Monoisotopic Mass | 330.11034 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | COC1=CC(=CC(O)=C1)[C@H]1OC2=C(C=C(C=O)C=C2OC)[C@@H]1CO |
---|
InChI Identifier | InChI=1S/C18H18O6/c1-22-13-6-11(5-12(21)7-13)17-15(9-20)14-3-10(8-19)4-16(23-2)18(14)24-17/h3-8,15,17,20-21H,9H2,1-2H3/t15-,17+/m0/s1 |
---|
InChI Key | RPBBEKGVUSUHOB-DOTOQJQBSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | houljiang@126.com | Not Available | Not Available | 2023-08-17 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | houljiang@126.com | Not Available | Not Available | 2023-08-17 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. |
---|
Kingdom | Organic compounds |
---|
Super Class | Phenylpropanoids and polyketides |
---|
Class | 2-arylbenzofuran flavonoids |
---|
Sub Class | Not Available |
---|
Direct Parent | 2-arylbenzofuran flavonoids |
---|
Alternative Parents | |
---|
Substituents | - 2-arylbenzofuran flavonoid
- Neolignan skeleton
- Methoxyphenol
- Coumaran
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Aryl-aldehyde
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Ether
- Oxacycle
- Organoheterocyclic compound
- Aldehyde
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Primary alcohol
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
External Links |
---|
HMDB ID | Not Available |
---|
DrugBank ID | Not Available |
---|
Phenol Explorer Compound ID | Not Available |
---|
FoodDB ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
Chemspider ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
BioCyc ID | Not Available |
---|
BiGG ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
METLIN ID | Not Available |
---|
PubChem Compound | 101571104 |
---|
PDB ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Good Scents ID | Not Available |
---|
References |
---|
General References | - Guan H, Cao R, Zhao Y, Zhang J, Li H, Duan X, Li Y, Kong N, Tian R, Wang K, Yang P: [Melatonin promotes osteogenesis of bone marrow mesenchymal stem cells by improving the inflammatory state in ovariectomized rats]. Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2023 Aug 15;37(8):1011-1020. doi: 10.7507/1002-1892.202304001. [PubMed:37586803 ]
- Chen G, Zheng Q, Liu M, He H, Ju X, Jiang K: [Effect of Kartogenin combined with adipose-derived stem cells on tendon-bone healing after anterior cruciate ligament reconstruction]. Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2023 Aug 15;37(8):1002-1010. doi: 10.7507/1002-1892.202305011. [PubMed:37586802 ]
- Xu C, Wang Z, Liu Y, Zhu Z, Duan K, Wu M, Guan J: [Study on application of ultrasonic bone curette in anterior cervical spine surgery]. Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2023 Aug 15;37(8):996-1001. doi: 10.7507/1002-1892.202302024. [PubMed:37586801 ]
- Sun Y, Lin Y, Li Q, Li B, Wang D, Huang X: [Effectiveness of preemptive analgesia with imrecoxib on analgesia after anterior cruciate ligament reconstruction: a randomized controlled study]. Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2023 Aug 15;37(8):982-988. doi: 10.7507/1002-1892.202304068. [PubMed:37586799 ]
- Sheng H, Zhang Y, You Q, Gong T, Li Z, He X, Tang F, Zhou Y, Wang Y, Lu M, Luo Y, Min L, Tu C: [Mid-term effectiveness of hip preservation in the reconstruction of ultrashort bone segments in the proximal femur with three-dimensional printed customized cementless intercalary endoprosthesis with an intra-neck curved stem]. Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi. 2023 Aug 15;37(8):970-977. doi: 10.7507/1002-1892.202304057. [PubMed:37586797 ]
|
---|