7-Formyldehydrohernangerine

AlkaPlorer ID: AK004004

Synonym: None

IUPAC Name: 17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene-13-carbaldehyde

Structure

SMILES: COC1=C(O)C=CC2=C(C=O)C3=C4C(=CC5=C(OCO5)C4=C12)CCN3

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InChI: InChI=1S/C19H15NO5/c1-23-18-12(22)3-2-10-11(7-21)17-14-9(4-5-20-17)6-13-19(25-8-24-13)16(14)15(10)18/h2-3,6-7,20,22H,4-5,8H2,1H3

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InChIKey: CROXASPPYKLJSM-UHFFFAOYSA-N

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Reference

PubChem CID: 101995348

SuperNatural Ⅲ: SN0053707

COCONUT: CNP0173677

Source

Properties Information

Molecule Weight: 337.3310000000001

TPSA: 77.02000000000001

MolLogP: 3.216400000000001

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information