Tolytoxin
AlkaPlorer ID: AK002093
Synonym: None
IUPAC Name: N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-enyl]-N-methylformamide
Structure
SMILES: CO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C=C/C(C)=C/[C@H](O)[C@H](OC)C[C@@H]2C=CC[C@@H](C[C@H](OC)[C@@]3(CO3)[C@@H](OC)C[C@@H](OC)[C@@H]1C)O2
InChI: InChI=1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,37-,38+,39+,40-,41-,43-,44+,45-,46-/m0/s1
InChIKey: FTGOWEQDZZMPNJ-GUMZKTDUSA-N
Reference
Cytotoxic, fungicidal nucleosides from blue green algae belonging to the Scytonemataceae.
PubChem CID: 6440827
LOTUS: LTS0187127
NPASS: NPC475383
{NPAtlas: NPA028862
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Mirabilis | Nyctaginaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 850.0999999999999
TPSA？: 172.04999999999998
MolLogP？: 4.995800000000007
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus oryzae | Aspergillus oryzae | Activity | nan | None | 10.1021/np50072a021 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np50072a021 |
| Homo sapiens | KB | IC50 | 0.001 | ug.mL-1 | 10.1021/np50072a021 |
| Penicillium chrysogenum | Penicillium chrysogenum | Activity | nan | None | 10.1021/np50072a021 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np50072a021 |