Molecule

Fumitremorgin C; 12R,13S-Dihydroxy

AlkaPlorer ID: AK293885

Synonym: 12,13-Dihydroxyfumitremorgin C, 12-Epicyclotryprostatin A

IUPAC Name: 1,2-dihydroxy-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

Structure

SMILES: COC1=CC=C2C3=C(NC2=C1)C(C=C(C)C)N1C(=O)C2CCCN2C(=O)C1(O)C3O

InChI: InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3

InChIKey: CPHRCQUGNAGVIB-UHFFFAOYSA-N

Reference

12,13-Dihydroxy-fumitremorgin C from Aspergillus fumigatus

PubChem CID: 14019526

CAS: 111427-99-7

LOTUS: LTS0270046

COCONUT: CNP0187103.4

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus fumigatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Pseudallescheria sp.	Pseudallescheria	Microascaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium sp.	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 411.4580000000002

TPSA？: 106.1

MolLogP？: 1.7525999999999995

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi