Flamvelutpenoid D

Details

• Internal ID: 49c891cd-2b27-4864-ab00-cbd6f16a3f23
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 5-hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohex-2-ene-1,4-dione
• SMILES (Canonical): CC1(C(=O)CC(C1(C)C2=CC(=O)C(CC2=O)(C)O)O)C
• SMILES (Isomeric): C[C@@]1([C@@H](CC(=O)C1(C)C)O)C2=CC(=O)C(CC2=O)(C)O
• InChI: InChI=1S/C15H20O5/c1-13(2)10(17)6-12(19)15(13,4)8-5-11(18)14(3,20)7-9(8)16/h5,12,19-20H,6-7H2,1-4H3/t12-,14?,15+/m1/s1
• InChI Key: QVCAIXDRZPUSFM-ATFAPYMMSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32 g/mol
• Exact Mass: 280.13107373 g/mol
• Topological Polar Surface Area (TPSA): 91.70 Ų
• XlogP: -0.30

Synonyms

There are no found synonyms.

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.70%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.82%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	91.70%	83.82%
CHEMBL2581	P07339	Cathepsin D	91.11%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.54%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.97%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.47%	97.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.46%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.91%	100.00%

Plants that contains it

• Chrysobalanus icaco

Cross-Links

• PubChem: 57327793
• LOTUS: LTS0159345
• wikiData: Q104935535