20-Demethoxy-20-methylaminodactyloquinone B
AlkaPlorer ID: AK142805
Synonym: None
IUPAC Name: (1R,10R,11S,14S)-10,11,14-trimethyl-6-(methylamino)-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
Structure
SMILES: C=C1CCC[C@@]23OC4=C(C[C@]2(C)[C@@H](C)CC[C@@]13C)C(=O)C(NC)=CC4=O
InChI: InChI=1S/C22H29NO3/c1-13-7-6-9-22-20(13,3)10-8-14(2)21(22,4)12-15-18(25)16(23-5)11-17(24)19(15)26-22/h11,14,23H,1,6-10,12H2,2-5H3/t14-,20-,21+,22-/m0/s1
InChIKey: OIPOCCJXOOTKAV-ZTVIYSTHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 355.47800000000007
TPSA？: 55.4
MolLogP？: 3.8373000000000026
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b01105 |