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Compound Summary

Compound Information

Ikarugamycin

Compound Name:	Ikarugamycin
Compound CID:	54680304
Synonyms:	Ikarugamycin 36531-78-9 CHEMBL4283254 CHEBI:75276 DTXSID501017235 More...
Iupac Name:	(1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione
InChI:	InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1
InChIKey:	GHXZHWYUSAWISC-KZRBWAKNSA-N
Canonical Smiles:	CCC1C(CC2C1C=CC3C2CC4C3CC=CC(=O)NCCCC5C(=O)C(=C(C=C4)O)C(=O)N5)C
Isomeric Smiles:	CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]/4[C@@H]3C/C=C\C(=O)NCCC[C@H]5C(=O)/C(=C(\C=C4)/O)/C(=O)N5)C
Molecular Weight:	478.6
Molecular Formula:	C29H38N2O4

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Ikarugamycin

Molecular Weight:	478.6
Molecular Formula:	C29H38N2O4
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Heavy Atom Count:	35
Complexity:	1010

Synonyms

Ikarugamycin

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Ikarugamycin	Ikarugamycin
14,17-Metheno-17H-as-indaceno3,2-k1,6diazacycloheptadecine-9,16,18(1H)-trione	(2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-3-ethyl-22-hydroxy-2-methyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-1H-14,17-(metheno)-as-indaceno3,2-k1,6diazacycloheptadecine-9,16,18(17H)-trione
3-Ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-, (2R,3R,3aS,5aR,5bS,7Z,14S,19E,20aS,21aR,21bR)-	IKA
CHEMBL4283254	CHEBI:75276
DTXSID501017235	MFCD01722005
HY-119764	CS-0077951

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Experimental Data

Ikarugamycin

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Species	Dosage	Unit	CG Lifespan(AVG/MED days)	TG Lifespan(AVG/MED days)	Lifespan Change(AVG/MED%)	CG Lifespan(MAX days)	TG Lifespan(MAX days)	Lifespan Change(MAX%)	Significant	Strain	Gender	PubMed	Active Label

Species	Dosage	Unit	CG Lifespan(AVG/MED days)	TG Lifespan(AVG/MED days)	Lifespan Change(AVG/MED%)	CG Lifespan(MAX days)	TG Lifespan(MAX days)	Lifespan Change(MAX%)	Significant	Strain	Gender	PubMed	Active Label
Caenorhabditis elegans	5	umol/L	18.8	23	22.3				S	N2		29273768	Active
Caenorhabditis elegans	5	umol/L	18.5	21.8	22.2				S	N2		29273768	Active

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Experimental Data Visualization

Ikarugamycin

Statistics Data

Ikarugamycin

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Statistics Data Visualization

Ikarugamycin