Dendrodolide K

Details

• Internal ID: 0bc9ed40-e159-4ab6-bebb-0323a971acc1
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: (4S,8S,10S,12R)-4,8,10-trihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
• SMILES (Canonical): CC1CC(CC(CC=CC(CC(=O)O1)O)O)O
• SMILES (Isomeric): C[C@@H]1C[C@H](C[C@H](CC=C[C@H](CC(=O)O1)O)O)O
• InChI: InChI=1S/C12H20O5/c1-8-5-11(15)6-9(13)3-2-4-10(14)7-12(16)17-8/h2,4,8-11,13-15H,3,5-7H2,1H3/t8-,9+,10-,11-/m1/s1
• InChI Key: IYYITHHIGWSWAF-LMLFDSFASA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₀O₅
• Molecular Weight: 244.28 g/mol
• Exact Mass: 244.13107373 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 0.00

Synonyms

• RefChem:131834
• 2a-Methyl-4b,6b,10b-trihydroxy-1-oxacyclododecane-8-ene-12-one
• (4S,5E,8S,10S,12R)-4,8,10-trihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
• CHEBI:203707
• (4S,8S,10S,12R)-4,8,10-trihydroxy-12-methyl-1-oxacyclododec-5-en-2-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.91%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.12%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.89%	99.23%
CHEMBL2581	P07339	Cathepsin D	82.69%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.54%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.09%	97.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139584995
• LOTUS: LTS0169527
• wikiData: Q77380223