2-(3-{1,2-dihydroxy-4-[(1H-pyrrol-3-yl)methyl]cyclopentyl}-1-hydroxypropyl)-7-(6-hydroxy-4-pentylcyclohex-2-en-1-yl)heptanoic acid
AlkaPlorer ID: AK409533
Synonym: None
IUPAC Name: 2-[3-[1,2-dihydroxy-4-(1H-pyrrol-3-ylmethyl)cyclopentyl]-1-hydroxypropyl]-7-(6-hydroxy-4-pentylcyclohex-2-en-1-yl)heptanoic acid
Structure
SMILES: CCCCCC1C=CC(CCCCCC(C(=O)O)C(O)CCC2(O)CC(CC3=CNC=C3)CC2O)C(O)C1
InChI: InChI=1S/C31H51NO6/c1-2-3-5-8-22-11-12-25(28(34)18-22)9-6-4-7-10-26(30(36)37)27(33)13-15-31(38)20-24(19-29(31)35)17-23-14-16-32-21-23/h11-12,14,16,21-22,24-29,32-35,38H,2-10,13,15,17-20H2,1H3,(H,36,37)
InChIKey: IFJLSRYRPTWJIZ-UHFFFAOYSA-N
Reference
Pongaflavanol: a Prenylated Flavonoid from Pongamia pinnata with a Modified Ring A
PubChem CID: 162838137
COCONUT: CNP0099267.1
Source
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Properties Information
Molecule Weight: 533.7500000000001
TPSA？: 134.01000000000002
MolLogP？: 4.985100000000005
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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