Neosiphoniamolide A
AlkaPlorer ID: AK325341
Synonym: None
IUPAC Name: (3S,6S,12S,14E,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-7,12,14,16,18-pentamethyl-3-propan-2-yl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Structure
SMILES: C/C1=C\[C@H](C)C[C@H](C)OC(=O)[C@H](C(C)C)N=C(O)[C@H](CC2=CC=C(O)C(I)=C2)N(C)C(=O)CN=C(O)[C@@H](C)C1
InChI: InChI=1S/C29H42IN3O6/c1-16(2)26-29(38)39-20(6)12-18(4)10-17(3)11-19(5)27(36)31-15-25(35)33(7)23(28(37)32-26)14-21-8-9-24(34)22(30)13-21/h8-10,13,16,18-20,23,26,34H,11-12,14-15H2,1-7H3,(H,31,36)(H,32,37)/b17-10+/t18-,19-,20-,23-,26-/m0/s1
InChIKey: HADLOGUIGHOPEZ-ZCRKUDLBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neosiphonia superstes | Neosiphonia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 655.5739999999998
TPSA？: 132.02
MolLogP？: 5.247900000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria alternata | Alternaria alternata | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Botrytis cinerea | Botrytis cinerea | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Fusarium | Fusarium | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Globisporangium rostratum | Globisporangium rostratum | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Helminthosporium | Helminthosporium | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Oculimacula yallundae | Oculimacula yallundae | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Parastagonospora nodorum | Parastagonospora nodorum | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Phytophthora cinnamomi | Phytophthora cinnamomi | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Phytophthora citrophthora | Phytophthora citrophthora | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Phytopythium vexans | Phytopythium vexans | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Pyricularia oryzae | Pyricularia oryzae | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Rhizoctonia solani | Rhizoctonia solani | IC90 | 5.0 | ppm | 10.1021/np50115a017 |
| Ustilago nuda | Ustilago nuda | IC90 | 5.0 | ppm | 10.1021/np50115a017 |