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Basic information
- CAS
7299-11-8- Standard SMILES
COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2- InChIKey
FUCWJKJZOHOLEO-UHFFFAOYSA-N- Molecular formula
- C18H14O8
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.0688674
Names & identifiers
- Preferred name
- Psoromic Acid
- IUPAC
- 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid
- English name
- Psoromic acid
- Molecular formula
- C18H14O8
- Molecular weight
- 358.3
Names & synonyms
Psoromic acidParellic acid7299-11-8NSC-921867SWA85EH4H4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acidDTXSID7022326410-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid11H-Dibenzo(b,e)(1,4)dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-Dibenzo[b,e][1,4]dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo(b)(1,4)benzodioxepine-1-carboxylic acid4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepine-6-carboxylic acid
Show more names
Virensic acidNSC-685587PSOROMIC ACID(SH),9-dimethyl-11-oxo-11h-dibenzo(b,e)(1,4)dioxepin-6-carboxylicacid,4-formyl-3-hydroxy-8-methoxy-14-Formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid1,6,9-Trimethyl-3,8-dihydroxy-4-formyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
RefChem:930212DTXCID70145755Psoromic acid (parellic acid)CHEMBL176570NSC92186MFCD000469414-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carboxylic acid10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Melting point
- 265 · 265~266℃
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMSO: Soluble; Ethanol: Soluble
- form
- A solid
- color
- White to off-white
- LogP
- 2.97 · 2.970 (est)
Chemistry & industry
Applications
UsesPsoromic acid is a Rab geranylgeranyl transferase inhibitor.
Suppliers15 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
BOC Sciences[email protected]
上海哲研生物科技有限公司18017610038 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
11 records
Compound notes
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