(1S,8R,15R,19S)-11-[(2S)-butan-2-yl]-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0²,⁷.0⁹,¹⁴.0¹⁵,¹⁹]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione
AlkaPlorer ID: AK092831
Synonym: None
IUPAC Name: (1R,8R,15R,19R)-4-[(2S)-butan-2-yl]-17-(4-pentoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
Structure
SMILES: CCCCCOC1=CC=C(N2C(=O)[C@@H]3[C@@H]4C5=CC=CC=C5[C@H](C5=CC([C@@H](C)CC)=CC=C54)[C@H]3C2=O)C=C1
InChI: InChI=1S/C33H35NO3/c1-4-6-9-18-37-23-15-13-22(14-16-23)34-32(35)30-28-24-10-7-8-11-25(24)29(31(30)33(34)36)27-19-21(20(3)5-2)12-17-26(27)28/h7-8,10-17,19-20,28-31H,4-6,9,18H2,1-3H3/t20-,28+,29+,30+,31+/m0/s1
InChIKey: NKRJMQHCSLDTMB-DDHMWDKHSA-N
Reference
Antiproliferative Alkaloids from <i>Alangium longiflorum</i>, an Endangered Tropical Plant Species
PubChem CID: 163151296
Source
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Properties Information
Molecule Weight: 493.6470000000003
TPSA？: 46.61
MolLogP？: 7.165700000000007
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
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