Molecule

10-epi-sclerotiamide

AlkaPlorer ID: AK013738

Synonym: None

IUPAC Name: (1'R,3R,7'S,9'S,12'R)-12'-hydroxy-7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione

Structure

SMILES: CC1(C)C=CC2=C(C=CC3=C2N=C(O)[C@@]32[C@@H](O)[C@@]34N=C(O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1

InChI: InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18+,24-,25-,26+/m0/s1

InChIKey: CFJMAERFDLWMJL-DGRAJDSTSA-N

Reference

Alkaloids from the Deep-Sea-Derived Fungus <i>Aspergillus westerdijkiae</i> DFFSCS013

PubChem CID: 71712815

LOTUS: LTS0155917

NPASS: NPC37957

{

NPAtlas: NPA000365

Source

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

Properties Information

Molecule Weight: 463.53400000000033

TPSA？: 114.95

MolLogP？: 3.2009000000000016

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	10000.0	nM	10.1021/np400132m
Homo sapiens	HL-60	IC50	10000.0	nM	10.1021/np400132m
Homo sapiens	K562	IC50	53000.0	nM	10.1021/np400132m
Homo sapiens	MCF7	IC50	10000.0	nM	10.1021/np400132m