Basic information
- CAS
121263-19-2- Standard SMILES
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(CC(C)OC(=O)c6ccccc6)c(c(c1CC(C)OC(=O)Oc1ccc(O)cc1)c23)c54- InChIKey
LSUTUUOITDQYNO-UHFFFAOYSA-N- Molecular formula
- C44H38O14
- Average molar mass
- 790.8 g/mol
- Monoisotopic mass
- 790.22615588
Overview
See also: Calphostin C (annotation moved to).
Names & identifiers
- Preferred name
- 1-[3,10-Dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl]propan-2-yl benzoate
- IUPAC
- 1-[3,10-dihydroxy-12-[2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl benzoate
- English name
- CALPHOSTIN C
- Molecular formula
- C44H38O14
- Molecular weight
- 790.76
Names & synonyms
CHEMBL2612141-[3,10-dihydroxy-12-(2-{[(4-hydroxyphenoxy)carbonyl]oxy}propyl)-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl]propan-2-yl benzoateCarbonic acid,(1R)-2-[12-[(2R)-2-(benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethyl4-hydroxyphenyl ester, stereoisomer(1R)-2-[12-[(2R)-2-(Benzoyloxy)propyl]-3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1-perylenyl]-1-methylethylcarbonic acid 4-hydroxyphenyl ester924657-57-8CLADOCHROME E(R)-1-(4,9-Dihydroxy-12-((R)-2-(((4-hydroxyphenoxy)carbonyl)oxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-yl benzoate1-(4,9-Dihydroxy-12-(2-(((4-hydroxyphenoxy)carbonyl)oxy)propyl)-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1-yl)propan-2-yl benzoateBSPBio_001520C44H38O14US9284299, PKF115-584CBiol_001843
Show more names
UCN-1028C2-DiazolePKF 115-584CALPHOSTIN C
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,580
Physicochemical properties
- Boiling point
- 1039.8 · 1039.8±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 1 mg/mL · DMF: 1 mg/mL
- form
- powder
- pka
- 7.3 · 7.30±0.20(Predicted)
- color
- red to brown
- biological source
- microbial (Cladosporium cladosporioides)
- InChIKey
- SRJYZPCBWDVSGO-UHFFFAOYSA-N
- SMILES
- COc1cc(O)c2C(=O)C(OC)=C(CC(C)OC(=O)Oc3ccc(O)cc3)c4c5C(CC(C)OC(=O)c6ccccc6)=C(OC)C(=O)c7c(O)cc(OC)c(c57)c1c24
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 271 P23G24 · I271P23G24
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29209010
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazardous Substances Data
- 121263-19-2(Hazardous Substances Data)
Chemistry & industry
Applications
UsesCalphostin C (CGP049090) is a perylenequinione isolated from the fungus, Cladosporium cladosporioides. Calphostin C is a potent and specific inhibitor of protein kinase C (PKC), with inhibition being light dependent. Calphostin C inhibits cell proliferation and induces apoptosis in vitro. Calphostin C is an antagonist of Tcf4/b-catenin signalling, inhibiting the expression of survivin and inducing apoptosis in several tumour cell lines.
UsesCalphostin C (PKF115-584) is a perylenequinione isolated from the fungus, Cladosporium cladosporioides. Calphostin C is a potent and specific inhibitor of protein kinase C (PKC), with inhibition being light dependent. Calphostin C inhibits cell proliferation and induces apoptosis in vitro. Calphostin C is an antagonist of Tcf4/b-catenin signalling, inhibiting the expression of survivin and inducing apoptosis in several tumor cell lines.
UsesPotent inhibitor of protein kinase C
Suppliers44 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
孟成科技（上海）有限公司
Related reactions
0 records
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Compound notes
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