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Cyclomontanin C

AlkaPlorer ID: AK084237

Synonym: None

IUPAC Name: 2-[(3S,9S,12S,15S,18S,21S,24S,27S,30S)-12-(2-amino-2-oxoethyl)-9,24-dibenzyl-27-[(1R)-1-hydroxyethyl]-18-(1H-imidazol-5-ylmethyl)-2,8,11,14,17,20,23,26,29-nonaoxo-15-propan-2-yl-1,7,10,13,16,19,22,25,28-nonazatricyclo[28.3.0.03,7]tritriacontan-21-yl]acetamide

Structure

SMILES: CC(C)[C@@H]1NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)NC1=O

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InChI: InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28-,32+,33+,34+,35+,36+,37+,38+,41+,42+/m1/s1

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InChIKey: POVFXEIWKRHEKP-GCGRWEQZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Annona montana Annona Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 1054.1759999999997

TPSA？: 379.4099999999999

MolLogP？: -3.385600000000009

Number of H-Donors: 11

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus J774.A1 Activity 50.0 % 10.1021/np8001282
Mus musculus J774.A1 Activity nan None 10.1021/np8001282

Metabolism Information