Sphaerocyclamide
AlkaPlorer ID: AK005434
Synonym: None
IUPAC Name: 3-[(3S,6S,9S,12S,18S,21S,24S)-3-benzyl-9-(hydroxymethyl)-21-methyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-18-yl]propanamide
Structure
SMILES: CC(C)=CCOC1=CC=C(C[C@@H]2N=C(O)[C@H](CO)N=C(O)[C@H](C(C)C)N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](C)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N=C2O)C=C1
InChI: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
InChIKey: JKBXTXMXBDJJQA-SJHSMXDOSA-N
Reference
Sphaerocyclamide, a prenylated cyanobactin from the cyanobacterium Sphaerospermopsis sp. LEGE 00249
PubChem CID: 146683708
LOTUS: LTS0210085
{NPAtlas: NPA027374
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sphaerospermopsis | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 918.062
TPSA？: 321.98
MolLogP？: 5.712170000000008
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|