General Information of the Compound
| Compound ID |
CP0066403
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| Compound Name |
(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one
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| Synonyms |
(-)-Triptolide
19ALD1S53J
38748-32-2
AC1Q6AXN
BSPBio_001595
C20H24O6
CHEBI:9747
CHEMBL463763
CPD000466307
KBioGR_000315
KBioSS_000315
NSC 163062
NSC163062
PG 490
PG-490
PG490
SMR000466307
Triptolid
Triptolide
Triptolide(PG490)/
Triptolide, 1
Triptolide, Tripterygium wilfordii
Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
UNII-19ALD1S53J
triptolide
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| Structure |
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| Formula |
C20H24O6
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| Molecular Weight |
360.406
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| Canonical SMILES |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
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| InChI |
InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
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| InChIKey |
DFBIRQPKNDILPW-CIVMWXNOSA-N
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| CAS |
38748-32-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound