Navigation

name Structure Reference Source Properties Activities Metabolism

Dianthin H

AlkaPlorer ID: AK101605

Synonym: None

IUPAC Name: (6S,9S,12S,15S,18S)-6-benzyl-9-[(2S)-butan-2-yl]-12-[(1R)-1-hydroxyethyl]-15-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](C(C)C)N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C1O

copy

InChI: InChI=1S/C31H46N6O7/c1-6-18(4)25-30(43)33-21(15-20-11-8-7-9-12-20)27(40)32-16-23(39)37-14-10-13-22(37)28(41)34-24(17(2)3)29(42)36-26(19(5)38)31(44)35-25/h7-9,11-12,17-19,21-22,24-26,38H,6,10,13-16H2,1-5H3,(H,32,40)(H,33,43)(H,34,41)(H,35,44)(H,36,42)/t18-,19+,21-,22-,24-,25-,26-/m0/s1

copy

InChIKey: BIAZNRXHSJRPQY-IQOHNXNXSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Dianthus superbus Dianthus Caryophyllaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 614.7440000000004

TPSA？: 203.49

MolLogP？: 3.573500000000004

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None Molecular identity unknown Activity 17.0 % 10.1016/j.bmcl.2012.01.058
None Molecular identity unknown Activity 17.2 % 10.1016/j.bmcl.2012.01.058
None Molecular identity unknown Activity 22.5 % 10.1016/j.bmcl.2012.01.058
None Molecular identity unknown Activity 26.3 % 10.1016/j.bmcl.2012.01.058
None Molecular identity unknown Activity 33.9 % 10.1016/j.bmcl.2012.01.058

Metabolism Information