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name Structure Reference Source Properties Activities Metabolism

(1S,7R,10R,14S,15S,17R,18S,19S,20S)-20-benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12-diene-3,22-dione

AlkaPlorer ID: AK321848

Synonym: None

IUPAC Name: (1S,4E,7R,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione

Structure

SMILES: C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@]32OC(=O)/C=C/C[C@H](O)CC1

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InChI: InChI=1S/C29H37NO5/c1-18-9-7-13-22-26-28(3,35-26)19(2)25-23(17-20-10-5-4-6-11-20)30-27(33)29(22,25)34-24(32)14-8-12-21(31)16-15-18/h4-8,10-11,13-14,18-19,21-23,25-26,31H,9,12,15-17H2,1-3H3,(H,30,33)/b13-7+,14-8+/t18-,19-,21-,22-,23-,25-,26-,28+,29+/m0/s1

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InChIKey: MDJGLFFJLUGHOF-UPKOUQQASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Hypericum triquetrifolium Hypericum Hypericaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Verpa digitaliformis Verpa Morchellaceae Pezizales Pezizomycetes Ascomycota Fungi Eukaryota
Scutellaria seleriana Scutellaria Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crinum kirkii Crinum Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aconitum brevicalcaratum Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ophiarthrum elegans Ophiarthrum Ophiocomidae Amphilepidida Ophiuroidea Echinodermata Metazoa Eukaryota
Teucrium pestalozzae Teucrium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plantago lanceolata Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trifolium apertum Trifolium Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tripodanthus acutifolius Tripodanthus Loranthaceae Santalales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veronica pectinata Veronica Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ptilidium ciliare Ptilidium Ptilidiaceae Ptilidiales Jungermanniopsida Streptophyta Viridiplantae Eukaryota
Isodon japonicus Isodon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cytisus scoparius Cytisus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ammodendron conollyi Ammodendron Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nerium oleander Nerium Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Malva sylvestris Malva Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Fucus spiralis Fucus Fucaceae Fucales Phaeophyceae None None Eukaryota
Streptomyces eurythermus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 479.61700000000025

TPSA？: 91.65000000000002

MolLogP？: 4.572800000000004

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information