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Mollamide C

AlkaPlorer ID: AK090885

Synonym: '', 'mollamide C'

IUPAC Name: (4S,10S,16S,19S)-4-[(2R)-butan-2-yl]-16-(2-methylbut-3-en-2-yloxymethyl)-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexazatricyclo[18.2.1.06,10]tricosa-1(22),20(23)-diene-2,5,11,14,17-pentone

Structure

SMILES: C=CC(C)(C)OC[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)N=C(O)C2=CSC(=N2)[C@H](CC(C)C)N=C1O

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InChI: InChI=1S/C30H46N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,16-20,22,24H,2,8,10-15H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18-,19+,20+,22+,24+/m1/s1

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InChIKey: XUWMKNIBSBACMR-ZFJRXVOLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Didemnum molle Didemnum Didemnidae Aplousobranchia Ascidiacea Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 618.8010000000002

TPSA？: 172.79

MolLogP？: 5.173500000000004

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cyclooxygenase-2 Activity nan None 10.1021/np700718p
Homo sapiens HCT-116 Activity 100.0 None 10.1021/np700718p
Mus musculus L1210 Activity 100.0 None 10.1021/np700718p
None NON-PROTEIN TARGET Activity 100.0 None 10.1021/np700718p
None NON-PROTEIN TARGET Activity 250.0 None 10.1021/np700718p
None NON-PROTEIN TARGET Activity nan None 10.1021/np700718p

Metabolism Information