Scutianine C; 10,11-Dihydro, 11ξ-hydroxy

AlkaPlorer ID: AK313152

Synonym: Pandamine

IUPAC Name: N-(7-benzyl-11-hydroxy-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl)-2-(dimethylamino)-3-methylpentanamide

Structure

SMILES: CCC(C)C(C(=O)NC1C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(O)C2=CC=C(C=C2)OC1C(C)C)N(C)C

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InChI: InChI=1S/C31H44N4O5/c1-7-20(4)27(35(5)6)31(39)34-26-28(19(2)3)40-23-15-13-22(14-16-23)25(36)18-32-29(37)24(33-30(26)38)17-21-11-9-8-10-12-21/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)

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InChIKey: STKZKAJIJHJDCQ-UHFFFAOYSA-N

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Reference

PubChem CID: 3542212

CAS: 10233-81-5

COCONUT: CNP0240230.7

Source

Species Genus Family Order Class Phylum Kingdom Domain
Panda oleosa Panda Pandaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 552.7160000000001

TPSA: 120.0

MolLogP: 2.4418000000000024

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information