None
AlkaPlorer ID: AK323412
Synonym: None
IUPAC Name: (1R,3S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)-21-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,25-trihydroxy-11,12-dimethyl-5,6,9-trioxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
Structure
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)CC(=O)C(=O)/C=C/C(=O)O[C@@H]1C)C[C@H](O)[C@H]2C(=O)O
InChI: InChI=1S/C34H47NO14/c1-18-10-8-6-4-5-7-9-11-22(48-33-31(42)29(35)30(41)20(3)47-33)15-26-28(32(43)44)25(39)17-34(45,49-26)16-21(36)14-24(38)23(37)12-13-27(40)46-19(18)2/h4-13,18-22,25-26,28-31,33,36,39,41-42,45H,14-17,35H2,1-3H3,(H,43,44)/b6-4+,7-5+,10-8+,11-9+,13-12+/t18-,19+,20+,21-,22-,25-,26-,28+,29-,30+,31-,33-,34+/m0/s1
InChIKey: UJPDKFMROAFFOA-GCMKIPFNSA-N
Reference
Antifungal activity improved by coproduction of cyclodextrins and anabaenolysins in Cyanobacteria
PubChem CID: 44566336
NPASS: NPC482522
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 693.7430000000004
TPSA？: 252.6
MolLogP？: -0.2634999999999959
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 10.0 | ug.mL-1 | 10.1021/np9805645 |
| Mus musculus | P388 | IC50 | 4.6 | ug.mL-1 | 10.1021/np9805645 |
| Penicillium chrysogenum | Penicillium chrysogenum | MIC | 10.0 | ug.mL-1 | 10.1021/np9805645 |
| Umbelopsis ramanniana | Umbelopsis ramanniana | MIC | 5.0 | ug.mL-1 | 10.1021/np9805645 |