Clonostachin B
AlkaPlorer ID: AK059292
Synonym: None
IUPAC Name: [(2R,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl] (2R,3S)-2-[[(2R)-2-[[(2S,4R)-1-[(2R)-2-[[(2R)-2-[[2-[[(2S,4R)-1-[(2R)-2-[[(2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S)-2-[[(2S,4R)-1-(2-acetamido-2-methylpropanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-2-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-3-methylpentanoate
Structure
SMILES: CC[C@H](C)[C@@H](NC(=O)[C@@](C)(CC)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@](C)(CC)NC(=O)[C@@](C)(CC)NC(=O)C(C)(C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@](C)(CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C(C)(C)NC(C)=O)C(=O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO
InChI: InChI=1S/C79H136N14O25/c1-22-42(11)56(65(110)118-58(55(102)39-95)57(103)54(101)38-94)82-67(112)75(17,23-2)87-64(109)53-33-47(100)37-93(53)72(117)79(21,27-6)89-68(113)76(18,24-3)88-66(111)73(13,14)84-63(108)52-32-46(99)36-92(52)71(116)78(20,26-5)86-60(105)49(29-41(9)10)81-62(107)51-31-45(98)35-91(51)70(115)77(19,25-4)85-59(104)48(28-40(7)8)80-61(106)50-30-44(97)34-90(50)69(114)74(15,16)83-43(12)96/h40-42,44-58,94-95,97-103H,22-39H2,1-21H3,(H,80,106)(H,81,107)(H,82,112)(H,83,96)(H,84,108)(H,85,104)(H,86,105)(H,87,109)(H,88,111)(H,89,113)/t42-,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58+,75+,76+,77-,78+,79+/m0/s1
InChIKey: DQJJFHGENNOEQH-AZQTVOOUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clonostachys sp. | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1682.0299999999995
TPSA？: 580.61
MolLogP？: -4.360600000000009
Number of H-Donors: 19
Number of H-Acceptors: 25
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 118.0 | ug.mL-1 | 10.1021/np3008842 |
| Candida albicans | Candida albicans | MIC | 118.0 | ug.mL-1 | 10.1021/np3008842 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 118.0 | ug.mL-1 | 10.1021/np3008842 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 118.0 | ug.mL-1 | 10.1021/np3008842 |