Molecule

Destruxin A

AlkaPlorer ID: AK032208

Synonym: 'Destruxin A', 'Destruxin DA'

IUPAC Name: (3S,10S,13S,16S,19S)-16-[(2R)-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

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+/m1/s1

InChIKey: XIYSEKITPHTMJT-HFWOUJIZSA-N

Reference

Study of Structure–Activity Correlation in Destruxins, a Class of Cyclodepsipeptides Possessing Suppressive Effect on the Generation of Hepatitis B Virus Surface Antigen in Human Hepatoma Cells

PubChem CID: 91746256

LOTUS: LTS0219516

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