Asperterpene F

Details

• Internal ID: 0049b13d-674b-4151-9116-002396a114bd
• Taxonomy: Organoheterocyclic compounds > Naphthopyrans
• IUPAC Name: (2S,4aR,4bS,5S,6aR,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-1,4,6,8-tetrone
• InChI: InChI=1S/C24H32O6/c1-11-10-13-22(5)9-8-14(25)21(3,4)16(22)15(26)19(28)24(13,7)17-20(29)30-12(2)18(27)23(11,17)6/h12-13,16-17,19,28H,1,8-10H2,2-7H3/t12-,13-,16-,17-,19+,22-,23+,24-/m0/s1
• InChI Key: OJCUHOMXXINHDN-ZKRXJUSPSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₂O₆
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.21988874 g/mol
• Topological Polar Surface Area (TPSA): 97.70 Ų
• XlogP: 2.10

Synonyms

• Asperterpene F
• BDBM50459484

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
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.59%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.40%	95.56%
CHEMBL204	P00734	Thrombin	89.35%	96.01%
CHEMBL2581	P07339	Cathepsin D	88.20%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.97%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.37%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.46%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.00%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590113
• LOTUS: LTS0193100
• wikiData: Q105193006