Scytonemin A
AlkaPlorer ID: AK313164
Synonym: None
IUPAC Name: [1-[31-benzyl-5,15,42-trihydroxy-34-(2-hydroxyethyl)-12-(hydroxymethyl)-25-(1-hydroxy-2-methylpropyl)-4,20,41-trimethyl-37-(2-methylpropyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-6-hydroxy-7-phenylheptan-2-yl] 2-acetamidopropanoate
Structure
SMILES: CC(=O)NC(C)C(=O)OC(CCCC(O)CC1=CC=CC=C1)CC1NC(=O)C2C(C)CCN2C(=O)C(C(O)C(C)C)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCO)NC(=O)C(CC(C)C)NC(=O)C2C(C)C(O)CN2C(=O)C2C(C)C(O)CN2C(=O)CNC(=O)C(CO)NC(=O)C1O
InChI: InChI=1S/C71H106N12O21/c1-36(2)27-49-65(97)75-47(24-26-84)64(96)77-50(29-44-19-14-11-15-20-44)62(94)72-31-54(90)80-56(60(92)37(3)4)69(101)81-25-23-38(5)57(81)66(98)76-48(30-46(104-71(103)41(8)74-42(9)86)22-16-21-45(87)28-43-17-12-10-13-18-43)61(93)68(100)79-51(35-85)63(95)73-32-55(91)82-33-52(88)40(7)59(82)70(102)83-34-53(89)39(6)58(83)67(99)78-49/h10-15,17-20,36-41,45-53,56-61,84-85,87-89,92-93H,16,21-35H2,1-9H3,(H,72,94)(H,73,95)(H,74,86)(H,75,97)(H,76,98)(H,77,96)(H,78,99)(H,79,100)(H,80,90)
InChIKey: BQKZAAFVKZMCPR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scytonema sp. | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Plectonema sp. | Plectonema | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| None | Oscillatoria | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1463.6920000000002
TPSA？: 490.74
MolLogP？: -4.5645000000000255
Number of H-Donors: 16
Number of H-Acceptors: 21
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|