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name Structure Reference Source Properties Activities Metabolism

12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16-triazaheptacyclo[14.10.0.0³,¹?.0?,¹².0?,¹¹.0¹?,²?.0¹?,²?]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione

AlkaPlorer ID: AK140570

Synonym: None

IUPAC Name: (1S,4S,12R,14S,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16-triazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione

Structure

SMILES: C=CC(C)(C)[C@@]12CC3=CC=CC=C3[C@]1(O)C[C@H]1C(=O)N3[C@@H](C[C@@]4(O)C5=CC=CC=C5N[C@@]34C(C)(C)C=C)C(=O)N12

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InChI: InChI=1S/C33H37N3O4/c1-7-28(3,4)32-17-20-13-9-10-14-21(20)30(32,39)18-24-27(38)36-25(26(37)35(24)32)19-31(40)22-15-11-12-16-23(22)34-33(31,36)29(5,6)8-2/h7-16,24-25,34,39-40H,1-2,17-19H2,3-6H3/t24-,25-,30+,31+,32-,33-/m0/s1

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InChIKey: FOHQYZAWIHZRDR-ZKAXYECFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Penicillium fellutanum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 539.6760000000003

TPSA？: 93.11

MolLogP？: 3.818500000000003

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HeLa IC50 19.7 ug.mL-1 10.1021/np9903853
Homo sapiens K562 IC50 9.5 ug.mL-1 10.1021/np9903853
Mus musculus L929 IC50 11.6 ug.mL-1 10.1021/np9903853

Metabolism Information