Tianchimycin A

Details

• Internal ID: bef2990c-d1c4-4048-b961-7fa12366c6d2
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: (3E,5S,6S,7S,11E,13E,15S,16R)-6-hydroxy-5,7,9,15,16-pentamethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
• InChI: InChI=1S/C20H30O4/c1-13-8-6-7-9-18(21)15(3)12-16(4)20(23)14(2)10-11-19(22)24-17(13)5/h6-11,13-17,20,23H,12H2,1-5H3/b8-6+,9-7+,11-10+/t13-,14-,15?,16-,17+,20+/m0/s1
• InChI Key: WDMWTIKQIXSBFK-UFIKMOMISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.21440943 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 4.20

Synonyms

• CHEBI:201852
• (3E,5S,6S,7S,11E,13E,15S,16R)-6-hydroxy-5,7,9,15,16-pentamethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

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	93.96%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.43%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.45%	96.09%
CHEMBL2581	P07339	Cathepsin D	84.79%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.16%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.10%	100.00%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	83.67%	81.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.98%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139584374
• LOTUS: LTS0218977
• wikiData: Q77310942