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name Structure Reference Source Properties Activities Metabolism

3-[16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propanoic

AlkaPlorer ID: AK477841

Synonym: None

IUPAC Name: 3-(16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoic acid

Structure

SMILES: C=CC1=C2C=C3NC(=CC4=NC5=C(C6=NC(=CC(=C1C)N2)C(C)C6CCC(=O)O)C(C(=O)OC)C(=O)C5=C4C)C(CC)=C3C

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InChI: InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36-37H,1,9-11H2,2-7H3,(H,40,41)

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InChIKey: OINDWIFDMFYGDX-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Clerodendrum calamitosum Clerodendrum Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 592.6960000000001

TPSA？: 138.03000000000003

MolLogP？: 6.659140000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information