Homodestruxin B
AlkaPlorer ID: AK051895
Synonym: None
IUPAC Name: (3S,10S,13S,16S,19S)-13,16-bis[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCN=C(O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O
InChI: InChI=1S/C31H53N5O7/c1-10-19(5)25-30(41)35(9)26(20(6)11-2)31(42)34(8)21(7)27(38)32-15-14-24(37)43-23(17-18(3)4)29(40)36-16-12-13-22(36)28(39)33-25/h18-23,25-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)/t19-,20-,21-,22-,23-,25-,26-/m0/s1
InChIKey: WWALEZSSEHJILM-DRKCKIEBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 607.7930000000001
TPSA？: 152.41000000000005
MolLogP？: 3.386700000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Drosophila melanogaster | Drosophila melanogaster | Activity | nan | None | 10.1021/np9601216 |
| Homo sapiens | Hep 3B2 | Activity | 0.8 | uM | 10.1021/np970475c |
| Homo sapiens | Hep 3B2 | Activity | 36.0 | mU/ml | 10.1021/np970475c |
| Homo sapiens | Hep 3B2 | Ratio | 18.0 | None | 10.1021/np970475c |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np970475c |