Molecule

Divergolide D

AlkaPlorer ID: AK029781

Synonym: 'Divergolide D'

IUPAC Name: (9R,10E,12S,15Z,17S,24R)-9-ethyl-4,24-dihydroxy-12-[(1S)-1-hydroxy-3-methylbut-2-enyl]-3,15-dimethyl-13-oxa-19-azatetracyclo[15.6.1.05,23.020,24]tetracosa-1(23),2,4,10,15,20-hexaene-6,14,18,22-tetrone

Structure

SMILES: CC[C@H]1/C=C/[C@@H]([C@@H](O)C=C(C)C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)C4=C(C(=O)CC1)C(O)=C(C)C=C4[C@@]32O

InChI: InChI=1S/C31H35NO8/c1-6-18-7-9-21(33)27-26-19(12-16(4)28(27)36)31(39)20(29(37)32-25(31)14-23(26)35)13-17(5)30(38)40-24(10-8-18)22(34)11-15(2)3/h8,10-14,18,20,22,24,34,36,39H,6-7,9H2,1-5H3,(H,32,37)/b10-8+,17-13-/t18-,20-,22+,24+,31+/m1/s1

InChIKey: WLFOUQMJTBECIJ-BLKUEGHMSA-N

Reference

PubChem CID: 72715428

SuperNatural Ⅲ: SN0413290-05

NPASS: NPC3016

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Otostegia fruticosa	Otostegia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cinnamosma madagascariensis	Cinnamosma	Canellaceae	Canellales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lepista irina	Lepista	Clitocybaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Streptomyces caelestis	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Saccharothrix mutabilis	Saccharothrix	Pseudonocardiaceae	Pseudonocardiales	Actinomycetes	Actinomycetota	None	Bacteria
Artemisia taurica	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Trichoderma citrinum	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Periploca forrestii	Periploca	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Paranephelius uniflorus	Paranephelius	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bruguiera gymnorhiza	Bruguiera	Rhizophoraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum nudifolium	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces atratus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Ceramium botryocarpum	Ceramium	Ceramiaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota
Daldinia concentrica	Daldinia	Hypoxylaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Pseudomonas chlororaphis	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Agaricus silvaticus	Agaricus	Agaricaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Sonneratia alba	Sonneratia	Lythraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pardachirus pavoninus	Pardachirus	Soleidae	Pleuronectiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Tephroseris integrifolia	Tephroseris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Umbilicaria cinereorufescens	Umbilicaria	Umbilicariaceae	Umbilicariales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Ulva prolifera	Ulva	Ulvaceae	Ulvales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Rhododendron aureum	Rhododendron	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mirabilis jalapa	Mirabilis	Nyctaginaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aegiceras corniculatum	Aegiceras	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Isoberlinia angolensis	Isoberlinia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypoxis nyasica	Hypoxis	Hypoxidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arbutus menziesii	Arbutus	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ajuga bracteosa	Ajuga	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stichopus horrens	Stichopus	Stichopodidae	Aspidochirotida	Holothuroidea	Echinodermata	Metazoa	Eukaryota
Echiochilon pauciflorum	Echiochilon	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sophora viciifolia	Sophora	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sipunculus nudus	Sipunculus	Sipunculidae	Golfingiida	Sipuncula	Annelida	Metazoa	Eukaryota
Teucrium orientale	Teucrium	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Xylopia aethiopica	Xylopia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 549.6200000000003

TPSA？: 150.22999999999996

MolLogP？: 3.4585200000000023

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mycolicibacterium vaccae	Mycolicibacterium vaccae	IZ	12.0	mm	10.1016/j.ejmech.2019.01.026