Tunicyclin D
AlkaPlorer ID: AK056851
Synonym: None
IUPAC Name: 2-[(3S,9S,12S,15S,21S,24S,27S)-9-[(2S)-butan-2-yl]-21-(1H-imidazol-5-ylmethyl)-24-(1H-indol-3-ylmethyl)-2,8,11,14,17,20,23,26-octaoxo-15-propan-2-yl-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-12-yl]acetamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C(C)C)N=C(O)CN=C(O)[C@H](CC2=CN=CN2)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C44H60N12O9/c1-5-24(4)37-44(65)56-15-9-13-33(56)43(64)55-14-8-12-32(55)41(62)51-29(16-25-19-47-28-11-7-6-10-27(25)28)39(60)50-30(17-26-20-46-22-49-26)38(59)48-21-35(58)53-36(23(2)3)42(63)52-31(18-34(45)57)40(61)54-37/h6-7,10-11,19-20,22-24,29-33,36-37,47H,5,8-9,12-18,21H2,1-4H3,(H2,45,57)(H,46,49)(H,48,59)(H,50,60)(H,51,62)(H,52,63)(H,53,58)(H,54,61)/t24-,29-,30-,31-,32-,33-,36-,37-/m0/s1
InChIKey: RXDUUZAJNVJIAD-LIDFJZNPSA-N
Reference
Antifungal Cyclic Peptides from <i>Psammosilene tunicoides</i>
PubChem CID: 50906290
LOTUS: LTS0062487
NPASS: NPC69843
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psammosilene tunicoides | Psammosilene | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 901.0389999999996
TPSA？: 324.71
MolLogP？: 4.881270000000009
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC80 | 4.0 | ug.mL-1 | 10.1021/np100363a |
| Candida albicans | Candida albicans | MIC80 | 16.0 | ug.mL-1 | 10.1021/np100363a |
| Candida parapsilosis | Candida parapsilosis | MIC80 | 1.0 | ug.mL-1 | 10.1021/np100363a |
| Candida tropicalis | Candida tropicalis | MIC80 | 0.25 | ug.mL-1 | 10.1021/np100363a |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC80 | 1.0 | ug.mL-1 | 10.1021/np100363a |