Portoamide D
AlkaPlorer ID: AK005971
Synonym: None
IUPAC Name: 3-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
Structure
SMILES: C/C=C1/N=C(O)[C@H](CO)N=C(O)[C@@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CN=C(O)[C@@H](CCC(=N)O)N=C(O)C(O)C(CC(O)CC(O)C(O)CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CCC2=CC=CC=C2)N=C(O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
InChIKey: OCPKVHKLLYWOOG-FIAGRJNLSA-N
Reference
Synergistic allelochemicals from a freshwater cyanobacterium
PubChem CID: 146683716
LOTUS: LTS0024954
{NPAtlas: NPA027382
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscillatoria sp. | Oscillatoria | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1283.4890000000005
TPSA？: 487.1100000000002
MolLogP？: 3.3777700000000164
Number of H-Donors: 16
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|