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name Structure Reference Source Properties Activities Metabolism

(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24,26,31,35-dodecaen-30-ium-30-olate

AlkaPlorer ID: AK572096

Synonym: None

IUPAC Name: (1S,14S,30R)-9,20,21,25-tetramethoxy-15,30-dimethyl-30-oxido-7,23-dioxa-15-aza-30-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C(C=C(OC)C(=C3)OC3=C4C(=CC(OC)=C3OC)CCN(C)[C@H]4C2)CC[N@@+]1(C)[O-]

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InChI: InChI=1S/C38H42N2O7/c1-39-15-13-26-21-35(44-5)37(45-6)38-36(26)29(39)17-24-9-12-31(42-3)33(19-24)46-27-10-7-23(8-11-27)18-30-28-22-34(47-38)32(43-4)20-25(28)14-16-40(30,2)41/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-,40+/m0/s1

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InChIKey: XOKSQIGOCSEXEF-QXPOBEJSSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Schizanthus hookeri Schizanthus Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 638.7610000000001

TPSA？: 81.68

MolLogP？: 7.175000000000009

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information