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name Structure Reference Source Properties Activities Metabolism

(2R,8S,9R,10S,12R,13R,16S)-13-hydroxy-16,19-dimethoxy-5,10-dimethyl-11,17-dioxa-5,14-diazahexacyclo[12.7.1.1²,⁹.0²,¹³.0⁸,¹².0¹⁸,²²]tricosa-1(22),18,20-triene-15,23-dione

AlkaPlorer ID: AK101308

Synonym: None

IUPAC Name: (2R,8S,9R,10S,12R,13R,16S)-13-hydroxy-16,19-dimethoxy-5,10-dimethyl-11,17-dioxa-5,14-diazahexacyclo[12.7.1.12,9.02,13.08,12.018,22]tricosa-1(22),18,20-triene-15,23-dione

Structure

SMILES: COC1=C2O[C@H](OC)C(=O)N3C2=C(C=C1)[C@@]12CCN(C)CC[C@H]4[C@@H](C1=O)[C@H](C)O[C@H]4[C@@]32O

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InChI: InChI=1S/C23H28N2O7/c1-11-15-12-7-9-24(2)10-8-22(18(15)26)13-5-6-14(29-3)17-16(13)25(20(27)21(30-4)32-17)23(22,28)19(12)31-11/h5-6,11-12,15,19,21,28H,7-10H2,1-4H3/t11-,12-,15-,19+,21-,22-,23-/m0/s1

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InChIKey: OMJQNBCIUNDXNR-ZIGIYUEMSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Vallesia glabra Vallesia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 444.4840000000002

TPSA？: 97.77

MolLogP？: 0.6610999999999998

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information