9-Hydroxyisoascididemin; 9-Deoxy, 9-(hydroxymethylamino)
AlkaPlorer ID: AK129518
Synonym: N-(Hydroxymethyl)isocystodamine
IUPAC Name: 6-(hydroxymethylamino)-3,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
Structure
SMILES: O=C1C2=C(N=CC=C2NCO)C2=C3C1=NC=CC3=C1C=CC=CC1=N2
InChI: InChI=1S/C19H12N4O2/c24-9-22-13-6-8-20-16-15(13)19(25)18-14-11(5-7-21-18)10-3-1-2-4-12(10)23-17(14)16/h1-8,24H,9H2,(H,20,22)
InChIKey: LTVMOGXQHUWSQJ-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 328.331
TPSA？: 88.0
MolLogP？: 2.7511
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
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