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BPI

Summary
Name:(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL
Synonyms:1S-TRANS-ANTI-BENZO[C]PHENANTHRENE
Formula:C18 H16 O3
Formal charge:0
Formula weight:280.318 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3R,4R)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol
OpenEye OEToolkits1.5.0(9R,10R,11R)-9,10,11,12-tetrahydrobenzo[c]phenanthrene-9,10,11-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O
SMILES_CANONICALCACTVS3.341O[C@@H]1Cc2c(ccc3ccc4ccccc4c23)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341O[CH]1Cc2c(ccc3ccc4ccccc4c23)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]([C@@H]([C@@H](C4)O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)ccc3c2c4c(cc3)C(C(C(C4)O)O)O
InChIInChI1.03InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m1/s1
InChIKeyInChI1.03WCUHTHVUZQCBTI-KBAYOESNSA-N

218853

PDB entries from 2024-04-24

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