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name Structure Reference Source Properties Activities Metabolism

(1S,7S,13S,19S,22S,28S)-13-(hydroxymethyl)-22,28-bis[(4-hydroxyphenyl)methyl]-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriacontan-2,8,11,14,20,23,26,29-octone

AlkaPlorer ID: AK204355

Synonym: None

IUPAC Name: (1S,7S,13S,19S,22S,28S)-13-(hydroxymethyl)-22,28-bis[(4-hydroxyphenyl)methyl]-3,9,12,15,21,24,27,30-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone

Structure

SMILES: O=C1[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CO)N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN12

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InChI: InChI=1S/C40H50N8O11/c49-22-29-39(58)46-15-2-5-31(46)37(56)45-27(18-23-7-11-25(50)12-8-23)35(54)41-20-33(52)43-28(19-24-9-13-26(51)14-10-24)38(57)48-17-3-6-32(48)40(59)47-16-1-4-30(47)36(55)42-21-34(53)44-29/h7-14,27-32,49-51H,1-6,15-22H2,(H,41,54)(H,42,55)(H,43,52)(H,44,53)(H,45,56)/t27-,28-,29-,30-,31-,32-/m0/s1

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InChIKey: ALXRVCOFRNFMER-JNRWAQIZSA-N

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Reference

PubChem CID: 11764306

SuperNatural Ⅲ: SN0009136-01

NPASS: NPC265516

Source

Species Genus Family Order Class Phylum Kingdom Domain
Cetonia aurata Cetonia Scarabaeidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
Illicium jiadifengpi Illicium Schisandraceae Austrobaileyales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ceratodictyon spongiosum Ceratodictyon Lomentariaceae Rhodymeniales Florideophyceae Rhodophyta None Eukaryota
Athyrium filix-femina Athyrium Athyriaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Lethariella cashmeriana Lethariella Parmeliaceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Sargassum natans Sargassum Sargassaceae Fucales Phaeophyceae None None Eukaryota
Kunzea baxteri Kunzea Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plumeria obtusa Plumeria Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sida acuta Sida Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ophiorrhiza pumila Ophiorrhiza Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stylocheilus striatus Stylocheilus Aplysiidae Aplysiida Gastropoda Mollusca Metazoa Eukaryota
Haplopappus foliosus Haplopappus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lindera triloba Lindera Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Echinometra oblonga Echinometra Echinometridae Camarodonta Echinoidea Echinodermata Metazoa Eukaryota
Laurencia majuscula Laurencia Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota

Properties Information

Molecule Weight: 818.8849999999998

TPSA？: 284.57

MolLogP？: 1.750200000000003

Number of H-Donors: 8

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information