Curvupallide B

Details

• Internal ID: 02d145e9-6540-4502-b227-d8b774fb0035
• Taxonomy: Organoheterocyclic compounds > Pyrrolines
• IUPAC Name: (2S,3R,4S)-3,4-dihydroxy-6-methoxy-7-methylidene-2-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrano[2,3-c]pyrrol-5-one
• SMILES (Canonical): CC=CC=CC1C(C(C2=C(O1)C(=C)N(C2=O)OC)O)O
• SMILES (Isomeric): C/C=C/C=C/[C@H]1[C@@H]([C@H](C2=C(O1)C(=C)N(C2=O)OC)O)O
• InChI: InChI=1S/C14H17NO5/c1-4-5-6-7-9-11(16)12(17)10-13(20-9)8(2)15(19-3)14(10)18/h4-7,9,11-12,16-17H,2H2,1,3H3/b5-4+,7-6+/t9-,11-,12-/m0/s1
• InChI Key: MCGMBKWXTCCVNV-CNLWIZLKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₇NO₅
• Molecular Weight: 279.29 g/mol
• Exact Mass: 279.11067264 g/mol
• Topological Polar Surface Area (TPSA): 79.20 Ų
• XlogP: 0.10

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
CHEMBL4040	P28482	MAP kinase ERK2	92.69%	83.82%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.30%	95.56%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	86.01%	97.21%
CHEMBL3401	O75469	Pregnane X receptor	85.81%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.47%	99.23%
CHEMBL2581	P07339	Cathepsin D	83.84%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.38%	96.09%
CHEMBL1871	P10275	Androgen Receptor	80.35%	96.43%

Plants that contains it

• Sorbus pallescens

Cross-Links

• PubChem: 15767962
• LOTUS: LTS0268243
• wikiData: Q77566738