Logo Anses
Logo Interreg

Chaetochromin b

  • Formula: C30H26O10

  • Molecular weight: 546.50

  • Smiles: CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C

  • Type: Naphtho-pyrone dimer

Download

Chaetochromin b

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Chaetochromin b

  • First synonym: None

  • Synonyms: Chaetochromin B,CHEBI:68719,LU0I4X77BN,109008-25-5,(9,9'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-5,5',6,6',8,8'-HEXAHYDROXY-2,2',3,3'-TETRAMETHYL-, (9S)-,UNII-LU0I4X77BN,(2R,2'S,3R,3'R)-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo(g)chromene-4,4'-dione,(2R,2'S,3R,3'R)-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione,CHEMBL1096606,Q27137139

Identifiers / External links

Structure

  • Smiles: CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C

  • Isomeric smiles: C[C@@H]1[C@H](OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)O[C@H]([C@H](C6=O)C)C)O)O)O)O)C

  • Inchi: InChI=1S/C30H26O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-12,31-34,37-38H,1-4H3/t9-,10-,11-,12+/m1/s1

  • Inchikey: RHNVLFNWDGWACV-KKOKHZNYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H26O10

  • Molecular weight: 546.50

  • Monoisotopic mass: 546.15259702

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi