O10-natafuranamine
AlkaPlorer ID: AK011989
Synonym: 'O10-natafuranamine'
IUPAC Name: N-[(1S,6R,7S,8R,10S,11R,13S,14R,15S,16S)-7-[(1S)-1-(dimethylamino)ethyl]-8,13-dihydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-16-yl]benzamide
Structure
SMILES: C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5N=C(O)C4=CC=CC=C4)CC3=CC[C@]12C)N(C)C
InChI: InChI=1S/C33H46N2O4/c1-20(35(5)6)27-25(37)18-32(4)23-16-24(36)28-30(2)19-39-33(28,17-22(23)12-14-31(27,32)3)15-13-26(30)34-29(38)21-10-8-7-9-11-21/h7-13,15,20,23-28,36-37H,14,16-19H2,1-6H3,(H,34,38)/t20-,23+,24-,25+,26-,27-,28-,30+,31+,32-,33+/m0/s1
InChIKey: FBMFMDSVTBIJPB-CKTRUMDJSA-N
Source
Properties Information
Molecule Weight: 534.7410000000002
TPSA？: 85.52
MolLogP？: 4.7656000000000045
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 8500.0 | nM | 10.1021/np100494u |