Basic information
- CAS
35082-49-6- Standard SMILES
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3- InChIKey
MXLWQNCWIIZUQT-QWRGUYRKSA-N- Molecular formula
- C29H26O10
- Average molar mass
- 534.5 g/mol
- Monoisotopic mass
- 534.15259702
Overview
Cercosporin has been reported in Dendryphiella, Sonneratia alba, and other organisms with data available.
Names & identifiers
- Preferred name
- Cercosporin
- IUPAC
- 7,19-dihydroxy-5,21-bis[(2S)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione
- English name
- CERCOSPORIN
- Molecular formula
- C29H26O10
- Molecular weight
- 534.51
Names & synonyms
CERCOSPORIN35082-49-6CERCOSPORIN, PURECHEMBL2323033UNII-DK0O6YH55GCGP-049090AC1L7HLICHEBI:3556AC1Q6BG4NSC-153111CGP049090SCHEMBL15185706
Show more names
NSC 153111(+)-CercosporinCGP049090, NSC 153111CGP-049090 (CGP049090Cercosporin, PKC inhibitorCERCOSPORIN FROM CERCOSPORA HAYII6,12-Dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxyperylo[1,12-def]-1,3-dioxepin-5,11-dione6,12-Dihydroxy-7,10-dimethoxy-8,9-bis[(R)-2-hydroxypropyl]perylo[1,12-def]-1,3-dioxepin-5,11-dione
GLXC-01619BDBM50094484HB3826NSC153111NSC623610NSC-6236107,19-dihydroxy-5,21-bis[(2S)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dioneF82362
Database identifiers
- CAS
35082-49-6- PubChem CID
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 988
Physicochemical properties
- Melting point
- 260 ℃ · 260℃
- Boiling point
- 894.7 · 894.7±65.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 9.8 · chloroform: soluble9.80 - 10.20mg/mL, clear, red to red-brown
- form
- solid
- pka
- 7.76 · 7.76±0.20(Predicted)
- color
- Dark red
- InChIKey
- JWFLIMIGORGZMQ-UHFFFAOYSA-N
- SMILES
- COC1=C(CC(C)O)c2c3c(CC(C)O)c(OC)c(O)c4C(=O)C=C5OCOc6cc(O)c(C1=O)c2c6c5c34
- FDA UNII
- 0 O6YH55G · DK0O6YH55G
- UNSPSC Code
- 51102829 · 51102829
- NACRES
- 85 · NA.85
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P362+P364-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesCercosporin is a perylenequinone reported in 1957 as the causative agent of soy bean purple speck disease due to the fungal pathogen, Cercsopsorium kikuchii, which is widely found in species of the Cercosporium genus. Cercosporin phytotoxicity is light-activated and this process contributes to a wider biological profile as a photodynamic antiviral and antitumor active. Cercosporin (CGP049090) is an antagonist of Tcf4/b-catenin signalling, inhibiting the expression of survivin and inducing apoptosis in several tumour cell lines.
UsesCercosporin (CGP049090) is a perylenequinone reported in 1957 as the causative agent of soy bean purple speck disease due to the fungal pathogen, Cercsopsorium kikuchii, which is widely found in species of Cercosporium. Cercosporin phytotoxicity is light-activated and this process contributes to a wider biological profile as a photodynamic antiviral and antitumor active. Cercosporin is an antagonist of Tcf4/b-catenin signalling, inhibiting the expression of survivin and inducing apoptosis in several tumor cell lines.
UsesCercosporin from Cercospora hayii is a light-induced polyketide phytotoxin reported to produce singlet oxygen when photoactivated.
Suppliers26 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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