Natural Product: NPC478235

Natural Product ID:  NPC478235
Common Name:   6-O-(4-hydroxybenzoyl)phelipaeside
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H28O12
Standard InCHIKey:  VGNSHUAFKWSOOW-SKCMJWITSA-N
Standard InCHI:  InChI=1S/C22H28O12/c23-7-13-16(25)17(26)18(27)21(32-13)34-20-15-11-5-14(33-20)30-8-22(15,29)6-12(11)31-19(28)9-1-3-10(24)4-2-9/h1-4,11-18,20-21,23-27,29H,5-8H2/t11-,12+,13?,14?,15+,16-,17?,18-,20-,21-,22+/m0/s1
Canonical SMILES:  OCC1O[C@@H](O[C@@H]2OC3OC[C@]4([C@@H]2[C@@H](C3)[C@@H](C4)OC(=O)c2ccc(cc2)O)O)[C@H](C([C@H]1O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO9835 Catalpa ovata Species Bignoniaceae Eukaryota stem bark Medicinal Plant Garden, College of Pharmacy, Ewha Womans University 2013-DEC PMID[28787158]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity IC50 = 76.7 ± 1.32 µM 28787158

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC478235 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.966 High Similarity NPC229354
0.9524 High Similarity NPC289021
0.9524 High Similarity NPC158546
0.9521 High Similarity NPC478236
0.9388 High Similarity NPC478234
0.9329 High Similarity NPC194705
0.9195 High Similarity NPC117346
0.9195 High Similarity NPC240592
0.9048 High Similarity NPC473281
0.9048 High Similarity NPC77922
0.9 High Similarity NPC161955
0.9 High Similarity NPC96599
0.8954 High Similarity NPC478232
0.8919 High Similarity NPC202391
0.8919 High Similarity NPC296659
0.891 High Similarity NPC138993
0.8861 High Similarity NPC109990
0.8851 High Similarity NPC478250
0.8839 High Similarity NPC475378
0.8797 High Similarity NPC476011
0.8797 High Similarity NPC145847
0.8792 High Similarity NPC251062
0.8792 High Similarity NPC184464
0.8792 High Similarity NPC194938
0.8758 High Similarity NPC475379
0.8742 High Similarity NPC473149
0.8725 High Similarity NPC186296
0.8716 High Similarity NPC159387
0.8716 High Similarity NPC137501
0.8716 High Similarity NPC154262
0.8716 High Similarity NPC7518
0.8699 High Similarity NPC471345
0.8693 High Similarity NPC35097
0.8684 High Similarity NPC120728
0.8671 High Similarity NPC208676
0.8671 High Similarity NPC130489
0.8671 High Similarity NPC474936
0.8662 High Similarity NPC187205
0.8654 High Similarity NPC475484
0.8645 High Similarity NPC257847
0.8642 High Similarity NPC21956
0.8636 High Similarity NPC474620
0.8634 High Similarity NPC130730
0.8634 High Similarity NPC301910
0.8621 High Similarity NPC114116
0.8609 High Similarity NPC475528
0.8608 High Similarity NPC179914
0.8591 High Similarity NPC46644
0.8581 High Similarity NPC49597
0.8562 High Similarity NPC206815
0.8553 High Similarity NPC119773
0.8553 High Similarity NPC474268
0.8553 High Similarity NPC473147
0.8553 High Similarity NPC473867
0.8553 High Similarity NPC143246
0.8553 High Similarity NPC475539
0.8519 High Similarity NPC282551
0.8514 High Similarity NPC170718
0.85 High Similarity NPC293568
0.85 High Similarity NPC117943
0.8467 Intermediate Similarity NPC80098
0.8456 Intermediate Similarity NPC31745
0.8456 Intermediate Similarity NPC220936
0.8428 Intermediate Similarity NPC329997
0.8428 Intermediate Similarity NPC49173
0.8385 Intermediate Similarity NPC477627
0.8373 Intermediate Similarity NPC195972
0.8367 Intermediate Similarity NPC470143
0.8367 Intermediate Similarity NPC322503
0.8355 Intermediate Similarity NPC116104
0.8355 Intermediate Similarity NPC293154
0.8355 Intermediate Similarity NPC263397
0.8355 Intermediate Similarity NPC302286
0.8355 Intermediate Similarity NPC237872
0.8355 Intermediate Similarity NPC88754
0.8344 Intermediate Similarity NPC265600
0.8333 Intermediate Similarity NPC116292
0.8333 Intermediate Similarity NPC267469
0.8333 Intermediate Similarity NPC87630
0.8333 Intermediate Similarity NPC179128
0.8323 Intermediate Similarity NPC189631
0.8322 Intermediate Similarity NPC472132
0.8313 Intermediate Similarity NPC4747
0.8313 Intermediate Similarity NPC104275
0.8313 Intermediate Similarity NPC470685
0.8312 Intermediate Similarity NPC212808
0.8312 Intermediate Similarity NPC37838
0.8312 Intermediate Similarity NPC208293
0.8312 Intermediate Similarity NPC291153
0.8302 Intermediate Similarity NPC172920
0.8302 Intermediate Similarity NPC156624
0.8301 Intermediate Similarity NPC478240
0.8301 Intermediate Similarity NPC63304
0.8293 Intermediate Similarity NPC469459
0.828 Intermediate Similarity NPC140151
0.8258 Intermediate Similarity NPC18789
0.825 Intermediate Similarity NPC478248
0.8235 Intermediate Similarity NPC475213
0.8235 Intermediate Similarity NPC152796
0.8231 Intermediate Similarity NPC254819
0.8228 Intermediate Similarity NPC469456
0.8224 Intermediate Similarity NPC79908
0.8217 Intermediate Similarity NPC35160
0.8217 Intermediate Similarity NPC182350
0.8217 Intermediate Similarity NPC162569
0.8205 Intermediate Similarity NPC476173
0.8199 Intermediate Similarity NPC226759
0.8188 Intermediate Similarity NPC169398
0.8182 Intermediate Similarity NPC149002
0.8182 Intermediate Similarity NPC469458
0.8182 Intermediate Similarity NPC88176
0.8182 Intermediate Similarity NPC469419
0.8182 Intermediate Similarity NPC469396
0.8171 Intermediate Similarity NPC161151
0.8171 Intermediate Similarity NPC120012
0.8166 Intermediate Similarity NPC475613
0.8165 Intermediate Similarity NPC269914
0.8165 Intermediate Similarity NPC478249
0.8153 Intermediate Similarity NPC92117
0.8146 Intermediate Similarity NPC65262
0.8146 Intermediate Similarity NPC469364
0.8146 Intermediate Similarity NPC101686
0.8129 Intermediate Similarity NPC210330
0.8129 Intermediate Similarity NPC108455
0.8121 Intermediate Similarity NPC28836
0.8121 Intermediate Similarity NPC311492
0.8121 Intermediate Similarity NPC180586
0.8121 Intermediate Similarity NPC475979
0.8108 Intermediate Similarity NPC233692
0.8108 Intermediate Similarity NPC239358
0.8108 Intermediate Similarity NPC478255
0.8105 Intermediate Similarity NPC51181
0.8105 Intermediate Similarity NPC469911
0.8101 Intermediate Similarity NPC147224
0.8101 Intermediate Similarity NPC104172
0.8101 Intermediate Similarity NPC69367
0.8101 Intermediate Similarity NPC88886
0.8098 Intermediate Similarity NPC271479
0.8098 Intermediate Similarity NPC328093
0.8095 Intermediate Similarity NPC477617
0.8089 Intermediate Similarity NPC120621
0.8089 Intermediate Similarity NPC248257
0.8089 Intermediate Similarity NPC308178
0.8086 Intermediate Similarity NPC475663
0.8086 Intermediate Similarity NPC286919
0.8082 Intermediate Similarity NPC106677
0.8082 Intermediate Similarity NPC288416
0.8079 Intermediate Similarity NPC27721
0.8077 Intermediate Similarity NPC474044
0.8075 Intermediate Similarity NPC10205
0.8075 Intermediate Similarity NPC203757
0.8065 Intermediate Similarity NPC471028
0.8065 Intermediate Similarity NPC229036
0.8063 Intermediate Similarity NPC229548
0.8063 Intermediate Similarity NPC478241
0.8063 Intermediate Similarity NPC157898
0.8063 Intermediate Similarity NPC89693
0.8054 Intermediate Similarity NPC472248
0.8052 Intermediate Similarity NPC284957
0.8052 Intermediate Similarity NPC65833
0.8038 Intermediate Similarity NPC75945
0.8037 Intermediate Similarity NPC469384
0.8037 Intermediate Similarity NPC308265
0.8026 Intermediate Similarity NPC310252
0.8026 Intermediate Similarity NPC473301
0.8026 Intermediate Similarity NPC100558
0.8026 Intermediate Similarity NPC84789
0.8026 Intermediate Similarity NPC302583
0.8025 Intermediate Similarity NPC471405
0.8025 Intermediate Similarity NPC470330
0.8014 Intermediate Similarity NPC252114
0.8013 Intermediate Similarity NPC202729
0.8012 Intermediate Similarity NPC472127
0.8012 Intermediate Similarity NPC472128
0.8012 Intermediate Similarity NPC327032
0.8012 Intermediate Similarity NPC191046
0.8012 Intermediate Similarity NPC294722
0.8012 Intermediate Similarity NPC194095
0.8 Intermediate Similarity NPC203664
0.8 Intermediate Similarity NPC41009
0.8 Intermediate Similarity NPC134905
0.8 Intermediate Similarity NPC36130
0.8 Intermediate Similarity NPC242756
0.7989 Intermediate Similarity NPC299855
0.7989 Intermediate Similarity NPC96194
0.7988 Intermediate Similarity NPC200708
0.7988 Intermediate Similarity NPC148185
0.7987 Intermediate Similarity NPC281798
0.7987 Intermediate Similarity NPC233860
0.7987 Intermediate Similarity NPC46137
0.7987 Intermediate Similarity NPC473777
0.7987 Intermediate Similarity NPC225384
0.7987 Intermediate Similarity NPC246869
0.7987 Intermediate Similarity NPC475824
0.7987 Intermediate Similarity NPC235294
0.7987 Intermediate Similarity NPC138777
0.7986 Intermediate Similarity NPC52097
0.7975 Intermediate Similarity NPC81835
0.7975 Intermediate Similarity NPC43638
0.7975 Intermediate Similarity NPC472860

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC478235 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8373 Intermediate Similarity NPD7685 Pre-registration
0.7866 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD7266 Discontinued
0.7707 Intermediate Similarity NPD4628 Phase 3
0.7566 Intermediate Similarity NPD3764 Approved
0.7557 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD6190 Approved
0.7533 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD9545 Approved
0.75 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD4380 Phase 2
0.747 Intermediate Similarity NPD8455 Phase 2
0.7457 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD7074 Phase 3
0.7399 Intermediate Similarity NPD7799 Discontinued
0.7381 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD7054 Approved
0.7346 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD8313 Approved
0.7345 Intermediate Similarity NPD8312 Approved
0.7337 Intermediate Similarity NPD7075 Discontinued
0.733 Intermediate Similarity NPD6559 Discontinued
0.7314 Intermediate Similarity NPD7472 Approved
0.731 Intermediate Similarity NPD7199 Phase 2
0.7308 Intermediate Similarity NPD230 Phase 1
0.7288 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6797 Phase 2
0.7253 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD7251 Discontinued
0.7229 Intermediate Similarity NPD7458 Discontinued
0.7212 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7228 Approved
0.7191 Intermediate Similarity NPD7808 Phase 3
0.7188 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6005 Phase 3
0.7188 Intermediate Similarity NPD6004 Phase 3
0.7188 Intermediate Similarity NPD6002 Phase 3
0.7178 Intermediate Similarity NPD7236 Approved
0.7175 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6653 Approved
0.7152 Intermediate Similarity NPD6273 Approved
0.7126 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD37 Approved
0.7101 Intermediate Similarity NPD6801 Discontinued
0.7099 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6234 Discontinued
0.7091 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD4966 Approved
0.7076 Intermediate Similarity NPD4967 Phase 2
0.7076 Intermediate Similarity NPD4965 Approved
0.7066 Intermediate Similarity NPD1653 Approved
0.7066 Intermediate Similarity NPD7239 Suspended
0.7055 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1549 Phase 2
0.7016 Intermediate Similarity NPD8320 Phase 1
0.7016 Intermediate Similarity NPD8319 Approved
0.7 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1934 Approved
0.6989 Remote Similarity NPD6166 Phase 2
0.6989 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6989 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6981 Remote Similarity NPD6355 Discontinued
0.6975 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6975 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6968 Remote Similarity NPD5647 Approved
0.6966 Remote Similarity NPD5844 Phase 1
0.6962 Remote Similarity NPD6663 Approved
0.6959 Remote Similarity NPD1465 Phase 2
0.6959 Remote Similarity NPD7819 Suspended
0.6959 Remote Similarity NPD5760 Phase 2
0.6959 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5761 Phase 2
0.6957 Remote Similarity NPD1510 Phase 2
0.6957 Remote Similarity NPD7033 Discontinued
0.6951 Remote Similarity NPD3750 Approved
0.6943 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7411 Suspended
0.694 Remote Similarity NPD8150 Discontinued
0.6933 Remote Similarity NPD970 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6799 Approved
0.6923 Remote Similarity NPD5736 Approved
0.6919 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6914 Remote Similarity NPD8127 Discontinued
0.6905 Remote Similarity NPD5403 Approved
0.6898 Remote Similarity NPD6534 Approved
0.6898 Remote Similarity NPD6535 Approved
0.6882 Remote Similarity NPD7028 Phase 2
0.6882 Remote Similarity NPD6599 Discontinued
0.6878 Remote Similarity NPD7700 Phase 2
0.6878 Remote Similarity NPD7699 Phase 2
0.6875 Remote Similarity NPD7435 Discontinued
0.6875 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6869 Remote Similarity NPD7930 Approved
0.6863 Remote Similarity NPD1091 Approved
0.6852 Remote Similarity NPD2799 Discontinued
0.6851 Remote Similarity NPD7240 Approved
0.6851 Remote Similarity NPD6765 Approved
0.6851 Remote Similarity NPD6764 Approved
0.6848 Remote Similarity NPD8434 Phase 2
0.6839 Remote Similarity NPD3749 Approved
0.6821 Remote Similarity NPD5402 Approved
0.6821 Remote Similarity NPD3817 Phase 2
0.681 Remote Similarity NPD2935 Discontinued
0.6806 Remote Similarity NPD6779 Approved
0.6806 Remote Similarity NPD6776 Approved
0.6806 Remote Similarity NPD6778 Approved
0.6806 Remote Similarity NPD6782 Approved
0.6806 Remote Similarity NPD6781 Approved
0.6806 Remote Similarity NPD6780 Approved
0.6806 Remote Similarity NPD6777 Approved
0.6804 Remote Similarity NPD7999 Approved
0.6798 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6795 Remote Similarity NPD6362 Approved
0.6795 Remote Similarity NPD3094 Phase 2
0.679 Remote Similarity NPD7097 Phase 1
0.6788 Remote Similarity NPD7497 Discontinued
0.6786 Remote Similarity NPD2532 Approved
0.6786 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5401 Approved
0.6786 Remote Similarity NPD2534 Approved
0.6786 Remote Similarity NPD2533 Approved
0.6782 Remote Similarity NPD7057 Phase 3
0.6782 Remote Similarity NPD7058 Phase 2
0.678 Remote Similarity NPD6232 Discontinued
0.6778 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6774 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5763 Approved
0.6768 Remote Similarity NPD5762 Approved
0.6761 Remote Similarity NPD5494 Approved
0.676 Remote Similarity NPD7473 Discontinued
0.675 Remote Similarity NPD6233 Phase 2
0.6747 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6747 Remote Similarity NPD8166 Discontinued
0.6735 Remote Similarity NPD7585 Approved
0.6731 Remote Similarity NPD1876 Approved
0.6725 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6722 Remote Similarity NPD3751 Discontinued
0.6717 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7783 Phase 2
0.671 Remote Similarity NPD1608 Approved
0.671 Remote Similarity NPD9269 Phase 2
0.6709 Remote Similarity NPD2861 Phase 2
0.6708 Remote Similarity NPD1240 Approved
0.6707 Remote Similarity NPD2796 Approved
0.6703 Remote Similarity NPD6784 Approved
0.6703 Remote Similarity NPD6785 Approved
0.6701 Remote Similarity NPD8151 Discontinued
0.6701 Remote Similarity NPD7697 Approved
0.6701 Remote Similarity NPD7698 Approved
0.6701 Remote Similarity NPD7696 Phase 3
0.6689 Remote Similarity NPD9493 Approved
0.6687 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6798 Discontinued
0.6686 Remote Similarity NPD3882 Suspended
0.6686 Remote Similarity NPD7768 Phase 2
0.6686 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6684 Remote Similarity NPD7583 Approved
0.6667 Remote Similarity NPD6212 Phase 3
0.6667 Remote Similarity NPD7874 Approved
0.6667 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2801 Approved
0.6667 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6213 Phase 3
0.665 Remote Similarity NPD7701 Phase 2
0.6646 Remote Similarity NPD3748 Approved
0.6646 Remote Similarity NPD2798 Approved
0.6629 Remote Similarity NPD6959 Discontinued
0.6628 Remote Similarity NPD3455 Phase 2
0.6627 Remote Similarity NPD1511 Approved
0.6627 Remote Similarity NPD5958 Discontinued
0.6626 Remote Similarity NPD1607 Approved
0.6623 Remote Similarity NPD5125 Phase 3
0.6623 Remote Similarity NPD5126 Approved
0.6607 Remote Similarity NPD2354 Approved
0.6607 Remote Similarity NPD3887 Approved
0.6606 Remote Similarity NPD1551 Phase 2
0.6605 Remote Similarity NPD4140 Approved
0.6604 Remote Similarity NPD9494 Approved
0.6599 Remote Similarity NPD7584 Approved
0.6592 Remote Similarity NPD3787 Discontinued
0.6584 Remote Similarity NPD3268 Approved
0.6582 Remote Similarity NPD7871 Phase 2
0.6582 Remote Similarity NPD7870 Phase 2
0.6582 Remote Similarity NPD2797 Approved
0.6577 Remote Similarity NPD969 Suspended
0.6576 Remote Similarity NPD8368 Discontinued
0.6575 Remote Similarity NPD6685 Approved
0.6568 Remote Similarity NPD5058 Phase 3
0.6564 Remote Similarity NPD5124 Phase 1
0.6564 Remote Similarity NPD1933 Approved
0.6564 Remote Similarity NPD6823 Phase 2
0.6564 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6559 Remote Similarity NPD8407 Phase 2
0.6558 Remote Similarity NPD9268 Approved
0.6556 Remote Similarity NPD690 Clinical (unspecified phase)
0.655 Remote Similarity NPD1512 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  484.16
ALogP:  -4.231
MLogP:  2.56
XLogP:  -0.549
# Rotatable Bonds:  12
Polar Surface Area:  184.6
# H-Bond Aceptor:  11
# H-Bond Donor:  6
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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