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name Structure Reference Source Properties Activities Metabolism

3-[(1S,2S,6S)-2-{2-[(1S,4aR,6S,8aR)-6-{[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid

AlkaPlorer ID: AK054696

Synonym: None

IUPAC Name: 3-[(1S,2S,6S)-2-[2-[(1S,4aR,6S,8aR)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dimethyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid

Structure

SMILES: C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](OC[C@H]4O[C@@H](O)[C@H](N=C(C)O)[C@@H](O)[C@@H]4O)CC[C@]23C)[C@@]1(C)CCC(=O)O

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InChI: InChI=1S/C38H61NO8/c1-21(2)25-12-10-22(3)26(37(25,8)19-17-31(41)42)13-14-27-23(4)11-15-29-36(6,7)30(16-18-38(27,29)9)46-20-28-33(43)34(44)32(35(45)47-28)39-24(5)40/h10,25-30,32-35,43-45H,1,4,11-20H2,2-3,5-9H3,(H,39,40)(H,41,42)/t25-,26-,27-,28+,29-,30-,32+,33+,34+,35+,37-,38+/m0/s1

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InChIKey: QHBOJGGEJPZRLD-CGSNPIHDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lansium domesticum Lansium Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 659.9049999999997

TPSA？: 149.04

MolLogP？: 6.374100000000008

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information