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Paratunamide D

AlkaPlorer ID: AK045033

Synonym: None

IUPAC Name: (3S,4R,4aS,6R)-4-ethenyl-6-hydroxy-7-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one

Structure

SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N(CC[C@@]3(O)C(O)=NC4=C3C=CC=C4)[C@H](O)C[C@H]21

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InChI: InChI=1S/C26H32N2O11/c1-2-12-13-9-18(30)28(8-7-26(36)15-5-3-4-6-16(15)27-25(26)35)22(34)14(13)11-37-23(12)39-24-21(33)20(32)19(31)17(10-29)38-24/h2-6,11-13,17-21,23-24,29-33,36H,1,7-10H2,(H,27,35)/t12-,13+,17-,18-,19-,20+,21-,23+,24+,26+/m1/s1

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InChIKey: QPIBCHJEPFSMPX-NXTSHNLASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cinnamodendron axillare Cinnamodendron Canellaceae Canellales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 548.5450000000003

TPSA？: 201.97

MolLogP？: -1.1082999999999976

Number of H-Donors: 7

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens KB IC50 6.0 ug.mL-1 10.1021/np0602968

Metabolism Information