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name Structure Reference Source Properties Activities Metabolism

(19S)-19-(2-hydroxyethyl)-19-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

AlkaPlorer ID: AK038069

Synonym: None

IUPAC Name: (19S)-19-(2-hydroxyethyl)-19-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Structure

SMILES: O=C1OCC2=C(C=C3C4=NC5=CC=CC=C5C=C4CN3C2=O)[C@]1(CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C26H26N2O10/c29-6-5-26(38-24-22(33)21(32)20(31)18(10-30)37-24)15-8-17-19-13(7-12-3-1-2-4-16(12)27-19)9-28(17)23(34)14(15)11-36-25(26)35/h1-4,7-8,18,20-22,24,29-33H,5-6,9-11H2/t18-,20-,21+,22-,24+,26+/m1/s1

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InChIKey: DMJSWTZCWLJTQF-FATQUBODSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Camptotheca acuminata Camptotheca Nyssaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 526.4980000000003

TPSA？: 180.8

MolLogP？: -1.1238000000000004

Number of H-Donors: 5

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information