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name Structure Reference Source Properties Activities Metabolism

N-[(1E,4S,5R,9R,10R,11R)-11-[(3R,11R,12S,15R,17S,18S,21R,23S,24R,25R,29R)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-

AlkaPlorer ID: AK455727

Synonym: None

IUPAC Name: N-[(E,4R,5R,9S,10S,11S)-11-[(3R,5Z,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25S,29S)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide

Structure

SMILES: CO[C@H]1CC2=CC(=O)O[C@@H]([C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(/C)C1)[C@H]2O

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InChI: InChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3/b19-15+,23-20+,24-21+,26-16+,33-17-/t34-,35-,36-,37-,38+,39-,41-,42+,43+,45-,46+,47-,50-,51-,52-,53-/m0/s1

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InChIKey: MINVLQAHLUCDIO-GLLDUQGXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Reidispongia coerulea Reidispongia Phymatellidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 960.256

TPSA？: 185.82

MolLogP？: 6.9086000000000105

Number of H-Donors: 2

Number of H-Acceptors: 14

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Alternaria alternata Alternaria alternata IC90 2.0 ppm 10.1021/np50115a017
Botrytis cinerea Botrytis cinerea IC90 2.0 ppm 10.1021/np50115a017
Fusarium Fusarium IC90 2.0 ppm 10.1021/np50115a017
Globisporangium rostratum Globisporangium rostratum IC90 2.0 ppm 10.1021/np50115a017
Helminthosporium Helminthosporium IC90 2.0 ppm 10.1021/np50115a017
Oculimacula yallundae Oculimacula yallundae IC90 2.0 ppm 10.1021/np50115a017
Parastagonospora nodorum Parastagonospora nodorum IC90 2.0 ppm 10.1021/np50115a017
Phytophthora cinnamomi Phytophthora cinnamomi IC90 2.0 ppm 10.1021/np50115a017
Phytophthora citrophthora Phytophthora citrophthora IC90 2.0 ppm 10.1021/np50115a017
Phytopythium vexans Phytopythium vexans IC90 2.0 ppm 10.1021/np50115a017
Pyricularia oryzae Pyricularia oryzae IC90 2.0 ppm 10.1021/np50115a017
Rhizoctonia solani Rhizoctonia solani IC90 2.0 ppm 10.1021/np50115a017
Ustilago nuda Ustilago nuda IC90 2.0 ppm 10.1021/np50115a017

Metabolism Information