Portoamide B
AlkaPlorer ID: AK001973
Synonym: None
IUPAC Name: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-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)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] (2S)-2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
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(CC(O)C(O)CC(C)C)OC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(C)=O)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/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
InChIKey: XCGGFKXEWPNQFS-ABXPXLQLSA-N
Reference
Synergistic allelochemicals from a freshwater cyanobacterium
PubChem CID: 146683714
LOTUS: LTS0201426
{NPAtlas: NPA027380
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscillatoria sp. | Oscillatoria | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1502.7290000000005
TPSA？: 533.7200000000001
MolLogP？: 4.723870000000022
Number of H-Donors: 16
Number of H-Acceptors: 21
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|