Kibdelone A
AlkaPlorer ID: AK062040
Synonym: 'Kibdelone A'
IUPAC Name: (19S,21S,22R)-8-chloro-19,21,22,26-tetrahydroxy-15-methoxy-6-methyl-7-propyl-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,12,15,18(23),25-octaene-3,5,10,24-tetrone
Structure
SMILES: CCCC1=C(Cl)C2=C(C(=O)C3=C(C=CC4=C(OC)C5=C(C(O)=C34)C(=O)C3=C(O5)[C@@H](O)C[C@H](O)[C@@H]3O)C2=O)C(=O)N1C
InChI: InChI=1S/C29H24ClNO10/c1-4-5-11-20(30)16-17(29(39)31(11)2)23(36)14-9(21(16)34)6-7-10-15(14)24(37)19-25(38)18-22(35)12(32)8-13(33)27(18)41-28(19)26(10)40-3/h6-7,12-13,22,32-33,35,37H,4-5,8H2,1-3H3/t12-,13-,22-/m0/s1
InChIKey: VXXQRIDYOXHDCN-MZFXBISCSA-N
Reference
Kibdelones: Novel Anticancer Polyketides from a Rare Australian Actinomycete
PubChem CID: 16109696
LOTUS: LTS0027923
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 581.9610000000002
TPSA？: 176.5
MolLogP？: 2.5718000000000014
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|