Molecule

chevalinulins B

AlkaPlorer ID: AK013845

Synonym: None

IUPAC Name: None

Structure

SMILES: [H]C(O)([C@@]1(O)[H])C2C[C@]3(NC(/C(NC3=O)=C/C4=C(NC5=CC=CC=C45)C(C)(C)C=C)=O)C1C=C2C(O)=O

InChI: InChI=1S/C26H27N3O6/c1-4-25(2,3)21-13(12-7-5-6-8-17(12)27-21)10-18-22(32)29-26(24(35)28-18)11-15-14(23(33)34)9-16(26)20(31)19(15)30/h4-10,15-16,19-20,27,30-31H,1,11H2,2-3H3,(H,28,35)(H,29,32)(H,33,34)/b18-10-/t15?,16?,19?,20-,26+/m1/s1

InChIKey: RPIOYTIHDRHHSA-DXLFBMQTSA-N

Reference

Chevalinulins A and B, Proangiogenic Alkaloids with a Spiro[bicyclo[2.2.2]octane-diketopiperazine] Skeleton from Deep-Sea Cold-Seep-Derived Fungus Aspergillus chevalieri CS-122

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus chevalieri	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 477.5170000000003

TPSA？: 151.74999999999997

MolLogP？: 1.3397

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi