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name Structure Reference Source Properties Activities Metabolism

(1R,2R,6R,7S,8R,12R)-6-hydroxy-11-[4-(2-hydroxyethyl)phenyl]-3-oxa-11-azatetracyclo[5.5.2.0²,⁶.0⁸,¹²]tetradecan-13-one

AlkaPlorer ID: AK256590

Synonym: None

IUPAC Name: (1R,2R,6R,7S,8R,12R)-6-hydroxy-11-[4-(2-hydroxyethyl)phenyl]-3-oxa-11-azatetracyclo[5.5.2.02,6.08,12]tetradecan-13-one

Structure

SMILES: O=C1C[C@H]2[C@H]3CCN(C4=CC=C(CCO)C=C4)[C@H]3[C@@H]1[C@H]1OCC[C@]12O

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InChI: InChI=1S/C20H25NO4/c22-9-6-12-1-3-13(4-2-12)21-8-5-14-15-11-16(23)17(18(14)21)19-20(15,24)7-10-25-19/h1-4,14-15,17-19,22,24H,5-11H2/t14-,15+,17-,18-,19-,20-/m1/s1

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InChIKey: MYHKJABAUFWFKY-WFDVMHAPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Incarvillea mairei Incarvillea Bignoniaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 343.4230000000002

TPSA？: 70.00000000000001

MolLogP？: 1.1550999999999998

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information