Rubellin a

Formula: C30H22O9
Molecular weight: 526.50
Smiles: CC1=CC2=C(C(=C1)O)C(=O)OC3C(C=CC4C3(C2O)CC5=CC(=C6C(=C45)C(=O)C7=C(C6=O)C(=CC=C7)O)O)O

Download

Rubellin a

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Rubellin a
First synonym: Rubellin a
Synonyms: Rubellin A,UNII-7UA9EUR7J9,7UA9EUR7J9,Rubellin A, (+)-,Q27268858,102349-24-6,Benzo(E)naphtho(2',3':5,6)fluoreno(1,9a-b)oxepin-5,10,19(15H)-trione, 5c,8,8a,16-tetrahydro-1,8,11,15,18-pentahydroxy-13-methyl-, (5calpha,8beta,8aalpha,15alpha,15as*)-(+)-,Benzo(E)naphtho(2',3':5,6)fluoreno(1,9a-b)oxepin-5,10,19(15H)-trione, 5c,8,8a,16-tetrahydro-1,8,11,15,18-pentahydroxy-13-methyl-, (5cr,8R,8aS,15S,15aS)-rel-(+)-

Smiles: CC1=CC2=C(C(=C1)O)C(=O)OC3C(C=CC4C3(C2O)CC5=CC(=C6C(=C45)C(=O)C7=C(C6=O)C(=CC=C7)O)O)O
Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=O)O[C@@H]3[C@@H](C=C[C@H]4[C@]3([C@H]2O)CC5=CC(=C6C(=C45)C(=O)C7=C(C6=O)C(=CC=C7)O)O)O
Inchi: InChI=1S/C30H22O9/c1-11-7-14-22(18(33)8-11)29(38)39-28-17(32)6-5-15-20-12(10-30(15,28)27(14)37)9-19(34)23-24(20)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37H,10H2,1H3/t15-,17-,27+,28-,30+/m1/s1
Inchikey: MIKZOUDYDHOEBX-LXRBGTOHSA-N

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 id	Species
1066	Ramularia collocygni