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Destruxin A

AlkaPlorer ID: AK032202

Synonym: None

IUPAC Name: (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Structure

SMILES: C=CC[C@H]1OC(=O)CCN=C(O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C1=O

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InChI: InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21+,23-,24-/m0/s1

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InChIKey: XIYSEKITPHTMJT-OCCJOITDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Metarhizium anisopliae Metarhizium Clavicipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 577.7230000000001

TPSA？: 152.41

MolLogP？: 2.526600000000003

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aeromonas hydrophila Aeromonas hydrophila MIC nan None 10.1021/acs.jnatprod.5b00450
Edwardsiella tarda Edwardsiella tarda MIC nan None 10.1021/acs.jnatprod.5b00450
Hepatitis B virus Hepatitis B virus IC50 0.1 ug.mL-1 10.1021/np50118a007
Homo sapiens Hep 3B2 Activity 0.4 uM 10.1021/np970475c
Homo sapiens Hep 3B2 Activity 37.0 mU/ml 10.1021/np970475c
Homo sapiens Hep 3B2 Ratio 28.0 None 10.1021/np970475c
Vibrio alginolyticus Vibrio alginolyticus MIC nan None 10.1021/acs.jnatprod.5b00450
Vibrio anguillarum Vibrio anguillarum MIC nan None 10.1021/acs.jnatprod.5b00450
Vibrio harveyi Vibrio harveyi MIC nan None 10.1021/acs.jnatprod.5b00450
Vibrio parahaemolyticus Vibrio parahaemolyticus MIC nan None 10.1021/acs.jnatprod.5b00450
None NON-PROTEIN TARGET Activity nan None 10.1021/np970475c
None NON-PROTEIN TARGET IC50 nan None 10.1021/np400143j

Metabolism Information