dysoxyhainanin A
AlkaPlorer ID: AK084561
Synonym: 'dysoxyhainanin A'
IUPAC Name: (1Z,3aR,5aR,5bS,7aS,10R,11aR,13aS,13bR)-1-(formamidomethylidene)-3,3,5a,5b,7a,10,13b-heptamethyl-2-oxo-4,5,6,7,8,9,11,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-10-carboxylic acid
Structure
SMILES: CC1(C)C(=O)/C(=C\N=CO)[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChI: InChI=1S/C31H45NO4/c1-26(2)22-10-11-30(6)23(31(22,7)21(24(26)34)17-32-18-33)9-8-19-20-16-28(4,25(35)36)13-12-27(20,3)14-15-29(19,30)5/h8,17-18,20,22-23H,9-16H2,1-7H3,(H,32,33)(H,35,36)/b21-17+/t20-,22-,23-,27+,28+,29+,30+,31-/m0/s1
InChIKey: ZZTXYUVDEDOUDW-XYNNUCQCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 495.70400000000046
TPSA？: 86.96
MolLogP？: 7.131800000000008
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|