Molecule

Rhinocladin A

AlkaPlorer ID: AK094694

Synonym: None

IUPAC Name: (3S,6S)-3-[[6-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-(2-methylpropyl)piperazine-2,5-dione

Structure

SMILES: CC(C)=CCC1=CC=C2C(C[C@@H]3N=C(O)[C@H](CC(C)C)N=C3O)=CNC2=C1

InChI: InChI=1S/C22H29N3O2/c1-13(2)5-6-15-7-8-17-16(12-23-18(17)10-15)11-20-22(27)24-19(9-14(3)4)21(26)25-20/h5,7-8,10,12,14,19-20,23H,6,9,11H2,1-4H3,(H,24,27)(H,25,26)/t19-,20-/m0/s1

InChIKey: IQXLYGNDMKLCLM-PMACEKPBSA-N

Reference

Two new cyclic dipeptides from <i>Rhinocladiella</i> sp. lgt-3, a fungal endophyte isolated from <i>Tripterygiun wilfordii</i> Hook

PubChem CID: 139586116

LOTUS: LTS0117909

{

NPAtlas: NPA010878

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhinocladiella sp. lgt-3	Rhinocladiella	Herpotrichiellaceae	Chaetothyriales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 367.49300000000005

TPSA？: 80.97

MolLogP？: 4.929000000000004

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi