Molecule

Asperversiamide L

AlkaPlorer ID: AK121926

Synonym: None

IUPAC Name: (1R,13S,16S,22S)-1,22-dihydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-8-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.04,9.014,22.016,20]tricosa-2(11),3,5,9-tetraene-15,21-dione

Structure

SMILES: C=CC(C)(C)[C@@]12NC3=C(C=C4C=CC(C)(C)OC4=C3)[C@]1(O)C[C@]1(O)C(=O)N3CCC[C@H]3C(=O)N21

InChI: InChI=1S/C26H31N3O5/c1-6-22(2,3)26-24(32,14-25(33)21(31)28-11-7-8-18(28)20(30)29(25)26)16-12-15-9-10-23(4,5)34-19(15)13-17(16)27-26/h6,9-10,12-13,18,27,32-33H,1,7-8,11,14H2,2-5H3/t18-,24+,25-,26-/m0/s1

InChIKey: JWEGUKYBEAMHKG-QWBXGMEYSA-N

Reference

HPLC-DAD-Directed Isolation of Linearly Fused Prenylated Indole Alkaloids from a Soil-Derived <i>Aspergillus versicolor</i>

PubChem CID: 145721072

LOTUS: LTS0103576

NPASS: NPC480408

{

NPAtlas: NPA025304

Source

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

Properties Information

Molecule Weight: 465.5500000000003

TPSA？: 102.34

MolLogP？: 2.3179

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	None	None	10.1021/acs.jnatprod.9b00183
Homo sapiens	HeLa	IC50	None	None	10.1021/acs.jnatprod.9b00183
Homo sapiens	HepG2	IC50	None	None	10.1021/acs.jnatprod.9b00183
Homo sapiens	MCF7	IC50	None	None	10.1021/acs.jnatprod.9b00183
Homo sapiens	NCM460	IC50	None	None	10.1021/acs.jnatprod.9b00183