Stictamide A; Me ester
AlkaPlorer ID: AK314455
Synonym: Stictamide C
IUPAC Name: methyl 2-[[3-hydroxy-4-[[2-[4-(4-hydroxyphenyl)butanoylamino]-5-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]pentanoyl]amino]-5-phenylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Structure
SMILES: COC(=O)C(CC1=CC=C(O)C=C1)N=C(O)CC(O)C(CC1=CC=CC=C1)N=C(O)C(CCCNC(=N)NCC=C(C)C)N=C(O)CCCC1=CC=C(O)C=C1
InChI: InChI=1S/C42H56N6O8/c1-28(2)22-24-45-42(43)44-23-8-12-34(46-38(52)13-7-11-29-14-18-32(49)19-15-29)40(54)48-35(25-30-9-5-4-6-10-30)37(51)27-39(53)47-36(41(55)56-3)26-31-16-20-33(50)21-17-31/h4-6,9-10,14-22,34-37,49-51H,7-8,11-13,23-27H2,1-3H3,(H,46,52)(H,47,53)(H,48,54)(H3,43,44,45)
InChIKey: LJZRCNQLPJLGAY-UHFFFAOYSA-N
Reference
Stictamides A−C, MMP12 Inhibitors Containing 4-Amino-3-hydroxy-5-phenylpentanoic Acid Subunits
PubChem CID: 76005053
LOTUS: LTS0064612
COCONUT: CNP0246464.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sticta sp. | Sticta | Lobariaceae | Peltigerales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 772.9439999999998
TPSA？: 232.67
MolLogP？: 5.665570000000005
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|