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Cyconatsudamine A

AlkaPlorer ID: AK104747

Synonym: None

IUPAC Name: (3S,9S,12S,15S,21S,24S)-21-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9,12-bis(2-methylpropyl)-1,7,10,13,16,19,22-heptazatricyclo[22.3.0.03,7]heptacosane-2,8,11,14,17,20,23-heptone

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O

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InChI: InChI=1S/C36H53N7O9/c1-20(2)15-24-32(48)40-26(16-21(3)4)35(51)43-14-6-8-29(43)36(52)42-13-5-7-28(42)34(50)41-27(19-44)31(47)37-18-30(46)38-25(33(49)39-24)17-22-9-11-23(45)12-10-22/h9-12,20-21,24-29,44-45H,5-8,13-19H2,1-4H3,(H,37,47)(H,38,46)(H,39,49)(H,40,48)(H,41,50)/t24-,25-,26-,27-,28-,29-/m0/s1

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InChIKey: DROIPXHPSJWVHD-AQRCPPRCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Citrus natsudaidai Citrus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 727.8599999999997

TPSA？: 244.03

MolLogP？: 3.271700000000004

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Aorta Activity 40.0 % 10.1016/j.bmcl.2007.07.036
Rattus norvegicus Aorta Activity 80.0 % 10.1016/j.bmcl.2007.07.036
Rattus norvegicus Aorta Activity nan None 10.1016/j.bmcl.2007.07.036

Metabolism Information