Anacyclamide A10
AlkaPlorer ID: AK002389
Synonym: None
IUPAC Name: 3-[(3S,6S,12S,18S,21S,24S,27S,30S,33S)-21-[(2S)-butan-2-yl]-30-[(1R)-1-hydroxyethyl]-12,27-bis(hydroxymethyl)-18-(1H-indol-3-ylmethyl)-2,5,11,14,17,20,23,26,29,32-decaoxo-3-propan-2-yl-1,4,10,13,16,19,22,25,28,31-decazatricyclo[31.3.0.06,10]hexatriacontan-24-yl]propanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CO)N=C(O)CN=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C1O
InChI: InChI=1S/C49H72N12O14/c1-6-25(4)39-46(72)55-31(19-27-20-51-29-12-8-7-11-28(27)29)41(67)52-21-37(66)53-33(23-63)48(74)60-17-9-13-34(60)44(70)57-38(24(2)3)49(75)61-18-10-14-35(61)45(71)59-40(26(5)64)47(73)56-32(22-62)43(69)54-30(42(68)58-39)15-16-36(50)65/h7-8,11-12,20,24-26,30-35,38-40,51,62-64H,6,9-10,13-19,21-23H2,1-5H3,(H2,50,65)(H,52,67)(H,53,66)(H,54,69)(H,55,72)(H,56,73)(H,57,70)(H,58,68)(H,59,71)/t25-,26+,30-,31-,32-,33-,34-,35-,38-,39-,40-/m0/s1
InChIKey: TWBVBKLXMJGRPJ-WTPCWRIRSA-N
Reference
Highly Diverse Cyanobactins in Strains of the Genus <i>Anabaena</i>
PubChem CID: 102170967
LOTUS: LTS0248518
{NPAtlas: NPA028840
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena sp. 90 | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1053.1849999999995
TPSA？: 421.90000000000015
MolLogP？: 3.321170000000011
Number of H-Donors: 14
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|