19-O-deMe-scytophycin C
AlkaPlorer ID: AK004643
Synonym: None
IUPAC Name: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9S,12E,14E,17S,19R)-7,17-dihydroxy-3,5-dimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-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[C@H](O)C[C@@H]2C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](OC)C[C@@H](O)[C@@H]1C)O2
InChI: InChI=1S/C44H73NO11/c1-27-15-18-34(47)23-35-13-12-14-36(55-35)24-39(52-9)32(6)40(53-10)25-38(49)31(5)44(56-41(50)20-16-27)33(7)42(51)28(2)17-19-37(48)30(4)43(54-11)29(3)21-22-45(8)26-46/h12-13,15-16,20-22,26,28-36,38-40,42-44,47,49,51H,14,17-19,23-25H2,1-11H3/b20-16+,22-21+,27-15+/t28-,29+,30-,31-,32+,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-/m0/s1
InChIKey: MVOGRRKBWLHPTF-FUNNEDHOSA-N
Reference
Tolytoxin and New Scytophycins from Three Species of Scytonema
PubChem CID: 23428136
CAS: 132368-19-5
LOTUS: LTS0157976
NPASS: NPC475608
{NPAtlas: NPA028653
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scytonema sp. | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| None | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 792.0640000000002
TPSA？: 161.29
MolLogP？: 5.583900000000007
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 2
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 |