Cytoglobosin B
AlkaPlorer ID: AK076862
Synonym: None
IUPAC Name: (1R,3E,5S,6R,7E,9S,11E,13R,14S,16S,17R,18S)-5,6,14-trihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-3,7,11-triene-2,20-dione
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@]23C(=O)/C=C/[C@H](O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-14,16-17,19,23,25-26,28-30,33,35,37-38H,4,8,15H2,1-3H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19+,23-,25-,26-,28-,29+,30+,32+/m0/s1
InChIKey: YUFTVRUFJJDEHE-ROQYSJLYSA-N
Source
Properties Information
Molecule Weight: 530.6650000000003
TPSA？: 122.65
MolLogP？: 3.383800000000002
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np900569t |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np900569t |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np900569t |