(2E)-2-[(11E)-1-{[2-(3,4-dihydroxyphenyl)ethyl]amino}octadec-11-en-1-ylidene]-4-hydroxycyclohexane-1,3-dione
AlkaPlorer ID: AK133620
Synonym: None
IUPAC Name: (4S)-2-[N-[2-(3,4-dihydroxyphenyl)ethyl]-C-[(Z)-heptadec-10-enyl]carbonimidoyl]-3,4-dihydroxycyclohex-2-en-1-one
Structure
SMILES: CCCCCC/C=C\CCCCCCCCCC(NCCC1=CC=C(O)C(O)=C1)=C1C(=O)CC[C@H](O)C1=O
InChI: InChI=1S/C32H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31-28(35)20-21-29(36)32(31)38)33-23-22-25-18-19-27(34)30(37)24-25/h7-8,18-19,24,29,33-34,36-37H,2-6,9-17,20-23H2,1H3/b8-7-,31-26?/t29-/m0/s1
InChIKey: XNVLKYSOYUWFPV-NIIRRSQRSA-N
Reference
NPASS: NPC73406
Source
Properties Information
Molecule Weight: 527.7460000000002
TPSA？: 106.86
MolLogP？: 6.81440000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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