Portoamide C
AlkaPlorer ID: AK005935
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)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-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=C(OC)C=C2)N=C(O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
InChIKey: ACFCYNJDAMJVRV-SFBMPHMPSA-N
Reference
Synergistic allelochemicals from a freshwater cyanobacterium
PubChem CID: 146683715
LOTUS: LTS0142481
{NPAtlas: NPA027381
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscillatoria sp. | Oscillatoria | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1313.515
TPSA？: 496.3400000000002
MolLogP？: 3.386370000000016
Number of H-Donors: 16
Number of H-Acceptors: 19
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|