Isoboldine
AlkaPlorer ID: AK007403
Synonym: '(+)-Isoboldine', 'Isoboldine', '(S)-Isoboldine', '6aalpha-Aporphine-1,9-diol, 2,10-dimethoxy-', '2,10-Dimethoxy-6aalpha-aporphine-1,9-diol'
IUPAC Name: (6aR)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
Structure
SMILES: COC1=CC2=C(C=C1O)C[C@@H]1C3=C(C=C(OC)C(O)=C23)CCN1C
InChI: InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m1/s1
InChIKey: LINHZVMHXABQLB-CYBMUJFWSA-N
Reference
Cytotoxic Constituents of the Stem Bark of <i>Neolitsea </i><i>a</i><i>cuminatissima</i>
PubChem CID: 6971182
LOTUS: LTS0234896
SuperNatural Ⅲ: SN0206419-02
NPASS: NPC273103
data_source: manually
Source
Properties Information
Molecule Weight: 327.3800000000001
TPSA？: 62.16
MolLogP？: 2.867100000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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