Leucettamol A
AlkaPlorer ID: AK026363
Synonym: None
IUPAC Name: (2R,3S,5Z,8Z,11Z,14Z,17Z,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
Structure
SMILES: C[C@@H](N)[C@@H](O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC[C@H](O)[C@@H](C)N
InChI: InChI=1S/C30H52N2O2/c1-27(31)29(33)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-30(34)28(2)32/h3,5-6,8-9,11-12,14-15,17,21,23,27-30,33-34H,4,7,10,13,16,18-20,22,24-26,31-32H2,1-2H3/b5-3-,8-6-,11-9-,14-12-,17-15-,23-21-/t27-,28-,29+,30+/m1/s1
InChIKey: CXFKWMQQNSTRAS-WGELTRNKSA-N
Reference
Leucettamines A and B, two antimicrobial lipids from the calcareous sponge Leucetta microraphis
PubChem CID: 44570361
LOTUS: LTS0032575
SuperNatural Ⅲ: SN0058059-05
NPASS: NPC113224
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Leucetta | Leucettidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
| None | Leucetta | Leucettidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 472.7580000000003
TPSA？: 92.5
MolLogP？: 6.421000000000007
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ubiquitin-conjugating enzyme E2 N | Activity | nan | None | 10.1016/j.bmcl.2008.10.110 |
| Homo sapiens | Ubiquitin-conjugating enzyme E2 N/Ubiquitin-conjugating enzyme E2 variant 1 | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2008.10.110 |
| Homo sapiens | Ubiquitin-conjugating enzyme E2 N/Ubiquitin-conjugating enzyme E2 variant 1 | IC50 | 106000.0 | nM | 10.1021/np300352u |