amaryllisine

AlkaPlorer ID: AK012963

Synonym: '', 'Amaryllisine'

IUPAC Name: (1S,10R,12R)-5,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-4-ol

Structure

SMILES: COC1=C(O)C=C2C(=C1OC)CN1CC[C@]23C=C[C@H](OC)C[C@@H]13

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InChI: InChI=1S/C18H23NO4/c1-21-11-4-5-18-6-7-19(15(18)8-11)10-12-13(18)9-14(20)17(23-3)16(12)22-2/h4-5,9,11,15,20H,6-8,10H2,1-3H3/t11-,15+,18+/m0/s1

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InChIKey: FADGQBPUPGSTJB-BKGUAONASA-N

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Reference

The Structure of Amaryllisine

PubChem CID: 441584

CAS: 6874-70-0

LOTUS: LTS0019583

SuperNatural Ⅲ: SN0080189-02

Source

Properties Information

Molecule Weight: 317.38500000000005

TPSA: 51.16

MolLogP: 2.21

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information