Molecule

Cristatin A; (S)-form, 8,9S-Dihydro, 8ξ-hydroxy

AlkaPlorer ID: AK293224

Synonym: Arestrictin A

IUPAC Name: 3-[hydroxy-[2-(2-methylbut-3-en-2-yl)-6,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(C(O)C2N=C(O)C(C)N=C2O)C2=CC=C(CC=C(C)C)C(CC=C(C)C)=C2N1

InChI: InChI=1S/C29H39N3O3/c1-9-29(7,8)26-22(25(33)24-28(35)30-18(6)27(34)32-24)21-15-13-19(12-10-16(2)3)20(23(21)31-26)14-11-17(4)5/h9-11,13,15,18,24-25,31,33H,1,12,14H2,2-8H3,(H,30,35)(H,32,34)

InChIKey: FAJDKWDVIHHSTP-UHFFFAOYSA-N

Reference

Two New Dioxopiperazine Derivatives, Arestrictins A and B, Isolated from Aspergillus restrictus and Aspergillus penicilloides

PubChem CID: 162848664

CAS: 929101-59-7

LOTUS: LTS0102961

COCONUT: CNP0110393.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus restrictus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 477.64900000000034

TPSA？: 101.20000000000002

MolLogP？: 6.366000000000006

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi