Molecule

Isariin C

AlkaPlorer ID: AK023047

Synonym: None

IUPAC Name: (3R,6S,9R,12R,19R)-19-hexyl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CCCCCC[C@@H]1CC(O)=NCC(O)=N[C@H](C(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@H](C)C(=O)O1

InChI: InChI=1S/C28H49N5O7/c1-8-9-10-11-12-20-14-22(34)29-15-23(35)33-24(17(4)5)27(38)32-21(13-16(2)3)26(37)30-18(6)25(36)31-19(7)28(39)40-20/h16-21,24H,8-15H2,1-7H3,(H,29,34)(H,30,37)(H,31,36)(H,32,38)(H,33,35)/t18-,19+,20+,21+,24+/m0/s1

InChIKey: YBUNWQZCPQUPOR-XFJGJFDASA-N

Reference

Identification and Characterization of a Library of Microheterogeneous Cyclohexadepsipeptides from the Fungus <i>Isaria</i>

PubChem CID: 139589092

LOTUS: LTS0227204

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NPAtlas: NPA021018

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Isaria	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 567.7280000000003

TPSA？: 189.25

MolLogP？: 5.271100000000004

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi