Clonostachysin A
AlkaPlorer ID: AK055793
Synonym: None
IUPAC Name: (3S,9S,12S,15S,18S,21S,24S,27S)-12-[(2S)-butan-2-yl]-24-[(4-methoxyphenyl)methyl]-4,7,9,10,13,16,19,21,25-nonamethyl-3,15-bis(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone
Structure
SMILES: CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC2=CC=C(OC)C=C2)C(O)=N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C
InChI: InChI=1S/C53H87N9O10/c1-19-34(8)45-53(71)56(12)36(10)48(66)55(11)30-43(63)57(13)42(28-32(4)5)51(69)62-26-20-21-39(62)49(67)58(14)40(29-37-22-24-38(72-18)25-23-37)46(64)54-35(9)47(65)60(16)44(33(6)7)52(70)59(15)41(27-31(2)3)50(68)61(45)17/h22-25,31-36,39-42,44-45H,19-21,26-30H2,1-18H3,(H,54,64)/t34-,35-,36-,39-,40-,41-,42-,44-,45-/m0/s1
InChIKey: CUPJMPGVPHAKED-CBQDEJQESA-N
Reference
Clonostachysins A and B, New Anti-dinoflagellate Cyclic Peptides from a Marine-derived Fungus
PubChem CID: 11434646
LOTUS: LTS0027135
{NPAtlas: NPA017597
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clonostachys rogersoniana | Clonostachys | Bionectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1010.3319999999998
TPSA？: 204.3
MolLogP？: 3.821900000000016
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|