Isodiospyrin

HCID 99298

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Basic information

CAS: 20175-84-2
Standard SMILES: Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)C=CC3=O)C(=O)C=CC2=O
InChIKey: OEEOHKZVBKYMBA-UHFFFAOYSA-N
Molecular formula: C22H14O6
Average molar mass: 374.3 g/mol
Monoisotopic mass: 374.07903816

Overview

Isodiospyrin is a member of biphenyls.

Names & identifiers

Preferred name: Isodiospyrin
IUPAC: 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione
English name: isodiospyrin
Molecular formula: C22H14O6
Molecular weight: 374.34

Names & synonyms

ISODIOSPYRIN20175-84-2IsoldiospyrinDTXSID901740071',4-dihydroxy-2,3'-dimethyl-(1,2'-binaphthalene)-5,5',8,8'-tetroneRefChem:923677DTXCID9096498rac-Isodiospyrin89475-33-25-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dioneNSC208731[1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-

Show more names

IsoquinoneIsodiospirin[1,2'-BINAPHTHALENE]-5,5',8,8'1,2’-Binaphthalene-5,5’,8,8’-tet[1,2’-Binaphtalene]-5,5’,8,8’-tet(-)-1',4-Dihydroxy-2,3'-dimethyl-(1,2'-binaphthalene)-5,5',8,8'-tetrone[1,2'-Binaphthalene]-5,5',8,8'-tetrone,1',4-dihydroxy-2,3'-dimethyl-, (1R)-IsodiospyrinQ: What is Isodiospyrin Q: What is the CAS Number of Isodiospyrin Q: What is the storage condition of Isodiospyrin

[1,2'-Binaphthalene]-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (R)- (8CI); (1R)-1',4-Dihydroxy-2,3'-dimethyl[1,2'-binaphthalene]-5,5',8,8'-tetrone; (-)-Isodiospyrin(1,2'-Binaphthalene)-5,5',8,8'-tetrone, 1',4-dihydroxy-2,3'-dimethyl-, (-)-NSC 208731CHEBI:6002CHEMBL1992900SCHEMBL31661732BDBM93040OEEOHKZVBKYMBA-UHFFFAOYSA-N

Database identifiers

CAS: 20175-84-2
PubChem CID: 99298
DTXSID: DTXSID90174007
ChEMBL: CHEMBL1992900
ChEBI: CHEBI:6002
Nikkaji: J11.012D、J819.967A

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 28
Formal charge: 0
Complexity: 795

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 233 °C · 233 °C
Boiling point: 712 · 712.0±60.0 °C(Predicted)
Density: 1.495 · 1.495±0.06 g/cm3(Predicted)
pka: 5.66 · 5.66±0.20(Predicted)
form: Solid
color: Orange to red
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesIsodiospyrin, a natural dimeric naphthoquinone, is a human DNA topoisomerase I (Topoisomerase) inhibitor. Isodiospyrin can prevent both DNA relaxation and kinase activities of human topoisomerase I. Isodiospyrin shows anticancer, antibacterial and antifungal activities[1][2][3].

Suppliers31 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

上海弘顺生物科技有限公司15901914505 · [email protected]

Aladdin Scientific[email protected]

Additional notes

DefinitionChEBI: Isodiospyrin is a member of biphenyls.

Related reactions

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Compound notes

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