None
AlkaPlorer ID: AK324656
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C=C1\N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](C(C)C)N=C(O)[C@@H](C(C)CC)N=C(O)[C@H](N=C(O)[C@H](N=C(O)[C@H](CCCN)N=C(O)C2CCCN2C(=O)[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](N=C(O)CCCC(C)C)C(C)C)C(C)O)C(C)C)C(C)C)C(C)CC)C(C)OC(=O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C75H124N14O16/c1-20-44(16)59(71(100)88-62-47(19)105-75(104)58(43(14)15)84-63(92)49(22-3)77-65(94)51(37-48-30-24-23-25-31-48)79-67(96)55(40(8)9)81-70(99)60(45(17)21-2)86-73(62)102)85-64(93)50(32-27-35-76)78-66(95)52-33-28-36-89(52)74(103)57(42(12)13)83-69(98)56(41(10)11)82-72(101)61(46(18)90)87-68(97)54(39(6)7)80-53(91)34-26-29-38(4)5/h22-25,30-31,38-47,50-52,54-62,90H,20-21,26-29,32-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-22-/t44?,45?,46?,47?,50-,51-,52?,54+,55+,56-,57+,58-,59+,60+,61-,62+/m0/s1
InChIKey: RCGXNDQKCXNWLO-VZYVNLQESA-N
Reference
NPASS: NPC488446
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amorpha fruticosa | Amorpha | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1477.8989999999978
TPSA?: 483.94000000000017
MolLogP?: 11.919999999999998
Number of H-Donors: 14
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | L5178Y | IC50 | 4300.0 | nM | 10.1021/acs.jnatprod.6b00809 |
