Cephalostatin 10
AlkaPlorer ID: AK000216
Synonym: None
IUPAC Name: None
Structure
SMILES: CO[C@H]1C2=NC3=C(C[C@@]4(C)[C@@H](CC[C@H]5C6=CC[C@@H]7[C@H](C)[C@@]8(OC[C@]67C(=O)C[C@@]54O)OC(C)(C)C[C@H]8O)C3)N=C2C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@]21C
InChI: InChI=1S/C55H76N2O12/c1-26-31-14-15-32-33-13-11-28-16-36-38(20-48(28,6)52(33,63)23-40(60)51(31,32)25-66-54(26)41(61)21-46(3,4)68-54)56-37-17-29-10-12-30-34(49(29,7)45(65-9)44(37)57-36)18-39(59)50(8)35(30)19-43-53(50,64)27(2)55(67-43)42(62)22-47(5,24-58)69-55/h15,19,26-31,33-34,39,41-43,45,58-59,61-64H,10-14,16-18,20-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,33-,34-,39+,41+,42+,43-,45-,47-,48-,49-,50+,51+,52+,53+,54+,55-/m0/s1
InChIKey: MSXVESDTBCFMQK-OMBRQITQSA-N
Reference
Isolation and Structure of Cephalostatins 10 and 11
PubChem CID: 10373697
LOTUS: LTS0016773
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 957.215
TPSA？: 210.38
MolLogP？: 4.764400000000005
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DU-145 | GI50 | 8.5 | nM | 10.1021/acs.jnatprod.5b00129 |
| Homo sapiens | MCF7 | GI50 | 1.4 | nM | 10.1021/acs.jnatprod.5b00129 |
| Homo sapiens | NCI-H460 | GI50 | 0.6 | nM | 10.1021/acs.jnatprod.5b00129 |
| Homo sapiens | SF-268 | GI50 | 3.7 | nM | 10.1021/acs.jnatprod.5b00129 |
| Mus musculus | P388 | ED50 | 3.0 | 10'-3 ug/ml | 10.1021/np50103a007 |
| Mus musculus | P388 | ED50 | 3.2 | nM | 10.1021/np070536z |
| None | NON-PROTEIN TARGET | GI50 | 0.7 | nM | 10.1021/acs.jnatprod.5b00129 |
| None | NON-PROTEIN TARGET | GI50 | 1.3 | nM | 10.1021/acs.jnatprod.5b00129 |