Fasciculol F
AlkaPlorer ID: AK086528
Synonym: ''
IUPAC Name: [(2R,3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate
Structure
SMILES: COC(=O)CN=C(O)CC(C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O)[C@]1(C)CC[C@H]([C@H](CO)CC[C@@H](O)C(C)(C)O)[C@@]1(C)[C@@H](O)C3
InChI: InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44)/t22-,23+,26+,27-,28+,29-,33-,36?,37+,38-,39-/m0/s1
InChIKey: YKNPFZYHSXIFMX-QJMSLSFKSA-N
Reference
The toxic principles of Naematoloma fasciculare.
PubChem CID: 72714435
LOTUS: LTS0102584
NPASS: NPC471121
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypholoma fasciculare | Hypholoma | Strophariaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 723.9450000000003
TPSA？: 206.57
MolLogP？: 3.7703000000000015
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 30000.0 | nM | 10.1021/np300801x |
| Homo sapiens | HCT-15 | IC50 | 30000.0 | nM | 10.1021/np300801x |
| Homo sapiens | SK-MEL-2 | IC50 | 5730.0 | nM | 10.1021/np300801x |
| Homo sapiens | SK-OV-3 | IC50 | 30000.0 | nM | 10.1021/np300801x |
| Mus musculus | BV-2 | Activity | nan | None | 10.1021/np300801x |