(6S,7R)-6-hydroxy-7-methyl-2,3,4,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylic acid

Details

• Internal ID: a05bf5ca-1e9a-46c0-93c4-eb0b8e9f4e11
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols
• IUPAC Name: (6S,7R)-6-hydroxy-7-methyl-2,3,4,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylic acid
• SMILES (Canonical): CC1C(CC2=C1CNCC2C(=O)O)O
• SMILES (Isomeric): C[C@H]1[C@H](CC2=C1CNCC2C(=O)O)O
• InChI: InChI=1S/C10H15NO3/c1-5-7-3-11-4-8(10(13)14)6(7)2-9(5)12/h5,8-9,11-12H,2-4H2,1H3,(H,13,14)/t5-,8?,9+/m1/s1
• InChI Key: PZFHWNSLGSDVOX-DVIJTVPPSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₅NO₃
• Molecular Weight: 197.23 g/mol
• Exact Mass: 197.10519334 g/mol
• Topological Polar Surface Area (TPSA): 69.60 Ų
• XlogP: -3.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.86%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.46%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.08%	97.09%
CHEMBL2581	P07339	Cathepsin D	87.65%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	86.35%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.91%	95.56%

Plants that contains it

• Alstonia angustifolia
• Alstonia rostrata
• Scaevola racemigera
• Strychnos cocculoides
• Strychnos pungens
• Strychnos variabilis

Cross-Links

• PubChem: 101415891
• LOTUS: LTS0271819
• wikiData: Q104396253