Amauromine

Formula: C32H36N4O2
Molecular weight: 508.70
Smiles: CC(C)(C=C)C12CC3C(=O)N4C(CC5(C4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3C1NC7=CC=CC=C27

Download

Amauromine

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Amauromine
First synonym: Amauromine
Synonyms: Amauromine,88360-87-6,(1S,4S,12R,14S,17S,25R)-12,25-bis(2-methylbut-3-en-2-yl)-3,5,16,18-tetrazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione,Antibiotic FR 900220,WF 6237,SCHEMBL8177353,CHEMBL2022567,BDBM50382409,Pyrazino(1'',2'':1,5;4'',5'':1',5')dipyrrolo(2,3-b:2',3'-b')diindole-7,15(5H,7ah)-dione, 5a,8,8a,13,13a,15a,16,16a-octahydro-8a,16a-bis(1,1-dimethyl-2-propenyl)-, (5aS-(5a-alpha,7a-beta,8a-alpha,13a-alpha,15a-beta,16a-alpha))-

Smiles: CC(C)(C=C)C12CC3C(=O)N4C(CC5(C4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3C1NC7=CC=CC=C27
Isomeric smiles: CC(C)(C=C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5([C@H]4NC6=CC=CC=C65)C(C)(C)C=C)C(=O)N3[C@@H]1NC7=CC=CC=C27
Inchi: InChI=1S/C32H36N4O2/c1-7-29(3,4)31-17-23-25(37)36-24(26(38)35(23)27(31)33-21-15-11-9-13-19(21)31)18-32(30(5,6)8-2)20-14-10-12-16-22(20)34-28(32)36/h7-16,23-24,27-28,33-34H,1-2,17-18H2,3-6H3/t23-,24-,27-,28-,31+,32+/m0/s1
Inchikey: VKEAHNPKYMHYJJ-CBYNOBLXSA-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
77	Amauroascus sp. No. 6237