Clazamycin B

Details

• Internal ID: bc495ccf-4c67-4166-8643-00911742dabc
• Taxonomy: Organoheterocyclic compounds > Pyrrolizines
• IUPAC Name: (2S,8S)-2-chloro-5-imino-2,3-dihydro-1H-pyrrolizin-8-ol
• InChI: InChI=1S/C7H9ClN2O/c8-5-3-7(11)2-1-6(9)10(7)4-5/h1-2,5,9,11H,3-4H2/t5-,7+/m0/s1
• InChI Key: DVCHIDKMDZZKBR-CAHLUQPWSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₉ClN₂O
• Molecular Weight: 172.61 g/mol
• Exact Mass: 172.0403406 g/mol
• Topological Polar Surface Area (TPSA): 47.30 Ų
• XlogP: 0.00

Synonyms

• 71774-49-7
• (2S,8S)-2-chloro-5-imino-2,3-dihydro-1H-pyrrolizin-8-ol
• Antibiotic 354
• U 54702
• (2S-cis)-2-Chloro-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol
• DTXSID00992431
• 1H-Pyrrolizin-7a(5H)-ol, 2,3-dihydro-2-chloro-5-imino-, (2S-cis)-
• 1H-Pyrrolizin-7a(5H)-ol, 2-chloro-2,3-dihydro-5-imino-, (2S-cis)-
• AKOS006278252
• U-54,702D
• 2-Chloro-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol
• (2S,7as)-2-chloro-2,3-dihydro-5-imino-1H-pyrrolizin-7a(5H)-ol
• 1H-Pyrrolizin-7a(5H)-ol, 2-chloro-2,3-dihydro-5-imino-, (2S,7aS)-
• 1H-Pyrrolizin-7a(5H)-ol,2-chloro-2,3-dihydro-5-imino-,(2S,7aS)-
• (5S,6aS)-5-chloro-4,5,6,6a-tetrahydro-6a-hydroxy-3-imino-3H-3a-azapentalene

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	94.48%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.43%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	82.43%	90.17%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	82.37%	86.00%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.02%	95.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.94%	97.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 126335
• LOTUS: LTS0066529
• wikiData: Q77491543