None
AlkaPlorer ID: AK323438
Synonym: None
IUPAC Name: 2,2-dimethylpropyl (2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-2-yloxyphosphoryl]amino]propanoate
Structure
SMILES: COC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OCC(C)(C)C)OC2=CC=C3C=CC=CC3=C2)[C@@H](O)[C@@]1(C)O
InChI: InChI=1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-12-11-18-9-7-8-10-19(18)13-20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21-,23-,27-,30-,46?/m1/s1
InChIKey: BKIGDOIHTKNDLB-PWHFZQNUSA-N
Reference
Sesquiterpene lactones from Centaurea musimomum. Antiplasmodial and cytotoxic activities
PubChem CID: 127038499
NPASS: NPC482782
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Granulobasidium vellereum | Granulobasidium | Cyphellaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 658.6490000000005
TPSA？: 203.13
MolLogP？: 3.1810700000000005
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MT4 | CC50 | 3000.0 | nM | 10.1021/acs.jnatprod.5b00500 |
| None | NON-PROTEIN TARGET | CC50 | 3000.0 | nM | 10.1021/acs.jnatprod.5b00500 |