Basic information
- CAS
10409-85-5- Standard SMILES
CCCCCCCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)O1- InChIKey
KIJLRIARMCGDJZ-UHFFFAOYSA-N- Molecular formula
- C33H59N5O7
- Average molar mass
- 637.9 g/mol
- Monoisotopic mass
- 637.44144924
Names & identifiers
- Preferred name
- 6-Methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
- IUPAC
- 6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
- English name
- ISARIIN
- Molecular formula
- C33H59N5O7
- Molecular weight
- 637.85
Names & synonyms
6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexoneNSC135015orb1985953CHEMBL1970907DTXSID50908789L-Valine, .rho.-lactone, (R)-AKOS040752104NSC-135015T321955,8,11,14,17-Pentahydroxy-6-methyl-9-(2-methylpropyl)-19-nonyl-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-2-oneISARIINIsariin A
Show more names
NSC 135015(R)-ISAROLIDE(R)-ISARIIN D(R)-ISARIIN C(R)-ISARIIN BCyclo[L-alanyl-L-valyl-(3R)-3-hydroxydodecanoylglycyl-L-valyl-D-leucyl]N-[N-[(R)-3-Hydroxy-1-oxododecyl]-Gly-L-Val-D-Leu-L-Ala-]-L-valine lactone
Database identifiers
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 984
Chemistry & industry
Applications
DescriptionIsariin is a cyclodepsipeptide from fungus Isaria felina.
UsesIsariin A is a cyclodepsipeptide isolated from the fungus Isaria cretacea, which exhibits antimalarial activity[1].
Suppliers3 total
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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