Molecule

Ardeemin

AlkaPlorer ID: AK097232

Synonym: None

IUPAC Name: (1S,12R,15S,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione

Structure

SMILES: C=CC(C)(C)[C@@]12C[C@H]3C4=NC5=CC=CC=C5C(=O)N4[C@H](C)C(=O)N3[C@@H]1NC1=CC=CC=C12

InChI: InChI=1S/C26H26N4O2/c1-5-25(3,4)26-14-20-21-27-18-12-8-6-10-16(18)23(32)29(21)15(2)22(31)30(20)24(26)28-19-13-9-7-11-17(19)26/h5-13,15,20,24,28H,1,14H2,2-4H3/t15-,20+,24+,26-/m1/s1

InChIKey: DNOJISVGBFLJOQ-BXVKCURFSA-N

Reference

5-N-Acetylardeemin, a novel heterocyclic compound which reverses multiple drug resistance in tumor cells. II. Isolation and elucidation of the structure of 5-N-acetylardeemin and two congeners.

PubChem CID: 10048118

LOTUS: LTS0067018

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NPAtlas: NPA012746

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 426.5200000000001

TPSA？: 67.23

MolLogP？: 4.146300000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi