Sanglifehrin A
(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
Molecular Identity
Sanglifehrin A
(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-[(2E,4E,8S,9S)-10-[(2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro[5.5]undecan-2-yl]-9-hydroxy-8-methyldeca-2,4-dien-2-yl]-10,12-dihydroxy-3-[(3-hydroxyphenyl)methyl]-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
PubChem CID: 5388925
2D Structure
Properties
C60H91N5O13
Molecular Formula
1090.40
Molecular Weight
g/mol
1089.6613
Exact Mass
Da
7.3
XLogP
Above Lipinski threshold
273
TPSA
May have limited oral absorption
9
H-Bond Donors
14
H-Bond Acceptors
2150
Complexity
SMILES
Canonical SMILES
SMILES: CCC1CC(C2(C(C(C(C(O2)CC(C(C)CCC=CC=C(C)C3CC=CC=CC(C(C(C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O3)CC5=CC(=CC=C5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)CIsomeric SMILES
SMILES: CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC/C=C/C=C(\C)/[C@@H]3C/C=C/C=C/[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)CC5=CC(=CC=C5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)CSynonyms(20)
SANGLIFEHRIN A187148-13-6DTXSID101022539RefChem:181156DTXCID901507224(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-18-((2E,4E,8S,9S)-10-((2S,3R,4S,5S,6R,9S,11S)-9-ethyl-4-hydroxy-3,5,11-trimethyl-8-oxo-1-oxa-7-azaspiro(5.5)undecan-2-yl)-9-hydroxy-8-methyldeca-2,4-dien-2-yl)-10,12-dihydroxy-3-((3-hydroxyphenyl)methyl)-11-methyl-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo(19.3.1)pentacosa-13,15-diene-2,5,8,20-tetrone1yndSFACHEMBL410807orb3024442SCHEMBL2587742SCHEMBL30269754GTPL13322YQF2675ONJZYZYZIKTIEG-CFBQITSMSA-N
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Sanglifehrin A
Loading drug network...