Scytophycin D
AlkaPlorer ID: AK008362
Synonym: None
IUPAC Name: N-[(E,3R,4R,5R,9S,10S,11S)-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,17S,19R)-4,17-dihydroxy-3,5,7-trimethoxy-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@](C)(O)[C@@H](OC)C[C@@H](OC)[C@@H]1C)O2
InChI: InChI=1S/C45H75NO12/c1-28-16-19-34(48)24-35-14-13-15-36(57-35)25-39(54-10)45(7,52)40(55-11)26-38(53-9)32(5)44(58-41(50)21-17-28)33(6)42(51)29(2)18-20-37(49)31(4)43(56-12)30(3)22-23-46(8)27-47/h13-14,16-17,21-23,27,29-36,38-40,42-44,48,51-52H,15,18-20,24-26H2,1-12H3/b21-17+,23-22+,28-16+/t29-,30+,31-,32-,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-,45-/m0/s1
InChIKey: DWQQWNRHLJPIDV-OAJWNAMCSA-N
Reference
Scytophycins, cytotoxic and antimycotic agents from the cyanophyte Scytonema pseudohofmanni
PubChem CID: 44567032
LOTUS: LTS0204782
SuperNatural Ⅲ: SN0077515-06
{NPAtlas: NPA027325
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 822.0900000000001
TPSA？: 170.51999999999998
MolLogP？: 5.352900000000006
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 0.01 | ug.mL-1 | 10.1021/np50072a021 |