Natural Product: NPC38699

Natural Product ID:  NPC38699
Common Name:   (8S,8'r)-Nortrachelogenin 8-O-Beta-D-Glucopyranoside
IUPAC Name:   (3S,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
Synonyms:  
Molecular Formula:   C26H32O12
Standard InCHIKey:  YAVQULWQXQRTKS-QDYGYTTASA-N
Standard InCHI:  InChI=1S/C26H32O12/c1-34-18-8-13(3-5-16(18)28)7-15-12-36-25(33)26(15,10-14-4-6-17(29)19(9-14)35-2)38-24-23(32)22(31)21(30)20(11-27)37-24/h3-6,8-9,15,20-24,27-32H,7,10-12H2,1-2H3/t15-,20-,21-,22+,23-,24+,26+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@]2(Cc3ccc(c(c3)OC)O)[C@@H](COC2=O)Cc2ccc(c(c2)OC)O)[C@@H]([C@H]([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
NPO31082 Pulsatilla koreana Species Ranunculaceae Eukaryota Roots PMID[24360605]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 41200 nM 21907579

  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 NPC38699 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
0.9799 High Similarity NPC163635
0.9597 High Similarity NPC61604
0.9597 High Similarity NPC299706
0.9597 High Similarity NPC115466
0.9597 High Similarity NPC245615
0.9396 High Similarity NPC158635
0.9396 High Similarity NPC229882
0.9281 High Similarity NPC478055
0.9211 High Similarity NPC44730
0.9161 High Similarity NPC469654
0.9116 High Similarity NPC253722
0.9116 High Similarity NPC253481
0.9116 High Similarity NPC52664
0.9116 High Similarity NPC31751
0.9103 High Similarity NPC44507
0.9097 High Similarity NPC226759
0.9097 High Similarity NPC40920
0.9097 High Similarity NPC223335
0.9073 High Similarity NPC478242
0.9048 High Similarity NPC472711
0.9048 High Similarity NPC100675
0.9032 High Similarity NPC228357
0.8993 High Similarity NPC470235
0.8993 High Similarity NPC283995
0.8993 High Similarity NPC84181
0.8993 High Similarity NPC129417
0.898 High Similarity NPC147379
0.8968 High Similarity NPC186316
0.8926 High Similarity NPC185307
0.8926 High Similarity NPC46092
0.8926 High Similarity NPC470950
0.8926 High Similarity NPC477898
0.8903 High Similarity NPC136757
0.8896 High Similarity NPC478268
0.8882 High Similarity NPC116229
0.8874 High Similarity NPC112861
0.8874 High Similarity NPC3982
0.8867 High Similarity NPC110063
0.8859 High Similarity NPC476356
0.8844 High Similarity NPC281780
0.8824 High Similarity NPC477695
0.8824 High Similarity NPC145569
0.8824 High Similarity NPC668
0.8824 High Similarity NPC474965
0.8824 High Similarity NPC293757
0.8824 High Similarity NPC174512
0.8824 High Similarity NPC216223
0.8812 High Similarity NPC116759
0.8812 High Similarity NPC14294
0.8808 High Similarity NPC279298
0.8808 High Similarity NPC38041
0.8808 High Similarity NPC223185
0.8808 High Similarity NPC18979
0.8808 High Similarity NPC22150
0.8797 High Similarity NPC179914
0.8797 High Similarity NPC469384
0.8792 High Similarity NPC282291
0.8792 High Similarity NPC166137
0.8776 High Similarity NPC471988
0.8776 High Similarity NPC199459
0.8776 High Similarity NPC52277
0.8776 High Similarity NPC177035
0.8774 High Similarity NPC203664
0.8774 High Similarity NPC477699
0.8774 High Similarity NPC56184
0.8766 High Similarity NPC470934
0.8766 High Similarity NPC188393
0.8765 High Similarity NPC185498
0.8742 High Similarity NPC268718
0.8742 High Similarity NPC118385
0.8742 High Similarity NPC91634
0.8742 High Similarity NPC472713
0.8742 High Similarity NPC472712
0.8742 High Similarity NPC187774
0.8742 High Similarity NPC473046
0.8742 High Similarity NPC150943
0.8734 High Similarity NPC286919
0.8734 High Similarity NPC475663
0.8733 High Similarity NPC140502
0.8726 High Similarity NPC131532
0.8716 High Similarity NPC304152
0.8712 High Similarity NPC21956
0.871 High Similarity NPC477700
0.8707 High Similarity NPC113295
0.8707 High Similarity NPC101624
0.8707 High Similarity NPC184938
0.8693 High Similarity NPC193473
0.8693 High Similarity NPC221383
0.8693 High Similarity NPC299090
0.8693 High Similarity NPC283081
0.8693 High Similarity NPC224674
0.8693 High Similarity NPC213074
0.8693 High Similarity NPC39657
0.8693 High Similarity NPC31325
0.8693 High Similarity NPC143892
0.8693 High Similarity NPC275284
0.8693 High Similarity NPC114505
0.8693 High Similarity NPC15956
0.8688 High Similarity NPC100465
0.8688 High Similarity NPC152424
0.8684 High Similarity NPC287615
0.8684 High Similarity NPC216819
0.8684 High Similarity NPC262182
0.8684 High Similarity NPC34587
0.8684 High Similarity NPC83743
0.8684 High Similarity NPC252292
0.8684 High Similarity NPC100998
0.8684 High Similarity NPC476382
0.8684 High Similarity NPC34927
0.8679 High Similarity NPC76211
0.8675 High Similarity NPC113680
0.8675 High Similarity NPC470811
0.8675 High Similarity NPC106920
0.8675 High Similarity NPC477697
0.8675 High Similarity NPC273657
0.8675 High Similarity NPC278961
0.8675 High Similarity NPC477696
0.8671 High Similarity NPC471405
0.8671 High Similarity NPC11411
0.8667 High Similarity NPC316539
0.8662 High Similarity NPC194095
0.8662 High Similarity NPC477299
0.8662 High Similarity NPC327032
0.8662 High Similarity NPC191046
0.8659 High Similarity NPC179240
0.8658 High Similarity NPC156376
0.8654 High Similarity NPC476434
0.8645 High Similarity NPC475224
0.8645 High Similarity NPC98624
0.8642 High Similarity NPC475738
0.8639 High Similarity NPC4982
0.8639 High Similarity NPC470881
0.8639 High Similarity NPC300776
0.8639 High Similarity NPC68779
0.8639 High Similarity NPC5310
0.8639 High Similarity NPC67247
0.8639 High Similarity NPC176814
0.8627 High Similarity NPC212890
0.8616 High Similarity NPC472860
0.8614 High Similarity NPC473630
0.8609 High Similarity NPC472714
0.8609 High Similarity NPC5262
0.8609 High Similarity NPC246947
0.8608 High Similarity NPC10205
0.8608 High Similarity NPC238834
0.86 High Similarity NPC289690
0.86 High Similarity NPC288452
0.8599 High Similarity NPC65591
0.8599 High Similarity NPC178574
0.8599 High Similarity NPC473236
0.8599 High Similarity NPC245948
0.8591 High Similarity NPC138738
0.8591 High Similarity NPC470413
0.859 High Similarity NPC32079
0.8581 High Similarity NPC51328
0.8581 High Similarity NPC55158
0.8581 High Similarity NPC125570
0.8581 High Similarity NPC477698
0.8581 High Similarity NPC123988
0.8581 High Similarity NPC111785
0.8581 High Similarity NPC286235
0.858 High Similarity NPC100420
0.858 High Similarity NPC227297
0.8571 High Similarity NPC232992
0.8571 High Similarity NPC115624
0.8571 High Similarity NPC6836
0.8563 High Similarity NPC469397
0.8562 High Similarity NPC53884
0.8562 High Similarity NPC272619
0.8562 High Similarity NPC478269
0.8562 High Similarity NPC43508
0.8562 High Similarity NPC286245
0.8562 High Similarity NPC173726
0.8562 High Similarity NPC258671
0.8562 High Similarity NPC477702
0.8562 High Similarity NPC241600
0.8562 High Similarity NPC469586
0.8562 High Similarity NPC476301
0.8553 High Similarity NPC237946
0.8553 High Similarity NPC473275
0.8553 High Similarity NPC478239
0.8553 High Similarity NPC32373
0.8553 High Similarity NPC470896
0.8544 High Similarity NPC103197
0.8544 High Similarity NPC30009
0.8543 High Similarity NPC471908
0.8535 High Similarity NPC95498
0.8535 High Similarity NPC302610
0.8535 High Similarity NPC36130
0.8535 High Similarity NPC267091
0.8535 High Similarity NPC246566
0.8535 High Similarity NPC134905
0.8533 High Similarity NPC321638
0.8533 High Similarity NPC171134
0.8533 High Similarity NPC321184
0.8533 High Similarity NPC226005
0.8533 High Similarity NPC328273
0.8528 High Similarity NPC222531
0.8528 High Similarity NPC180586
0.8521 High Similarity NPC188217

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC38699 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
0.8765 High Similarity NPD7228 Approved
0.8679 High Similarity NPD6234 Discontinued
0.8599 High Similarity NPD37 Approved
0.8553 High Similarity NPD4966 Approved
0.8553 High Similarity NPD4965 Approved
0.8553 High Similarity NPD4967 Phase 2
0.8462 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8443 Intermediate Similarity NPD7685 Pre-registration
0.8289 Intermediate Similarity NPD7266 Discontinued
0.8242 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8225 Intermediate Similarity NPD7240 Approved
0.8205 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD6190 Approved
0.8176 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD7199 Phase 2
0.8095 Intermediate Similarity NPD3818 Discontinued
0.8012 Intermediate Similarity NPD7251 Discontinued
0.8 Intermediate Similarity NPD7074 Phase 3
0.7965 Intermediate Similarity NPD7808 Phase 3
0.7961 Intermediate Similarity NPD6355 Discontinued
0.7953 Intermediate Similarity NPD6797 Phase 2
0.7941 Intermediate Similarity NPD7054 Approved
0.7895 Intermediate Similarity NPD7472 Approved
0.7866 Intermediate Similarity NPD8455 Phase 2
0.7845 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7815 Intermediate Similarity NPD3027 Phase 3
0.7778 Intermediate Similarity NPD1653 Approved
0.7772 Intermediate Similarity NPD7680 Approved
0.7771 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD6233 Phase 2
0.7709 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD7095 Approved
0.7665 Intermediate Similarity NPD3882 Suspended
0.7661 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD6166 Phase 2
0.7661 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD6798 Discontinued
0.763 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD6674 Discontinued
0.7605 Intermediate Similarity NPD3817 Phase 2
0.76 Intermediate Similarity NPD6559 Discontinued
0.759 Intermediate Similarity NPD1934 Approved
0.7562 Intermediate Similarity NPD4110 Phase 3
0.7562 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD1613 Approved
0.7548 Intermediate Similarity NPD4060 Phase 1
0.7548 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD3787 Discontinued
0.7543 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD3705 Approved
0.7516 Intermediate Similarity NPD7097 Phase 1
0.7515 Intermediate Similarity NPD7075 Discontinued
0.7515 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD8313 Approved
0.7514 Intermediate Similarity NPD8312 Approved
0.75 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD8127 Discontinued
0.7453 Intermediate Similarity NPD4628 Phase 3
0.744 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD7296 Approved
0.7414 Intermediate Similarity NPD7473 Discontinued
0.7378 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD5763 Approved
0.7375 Intermediate Similarity NPD5762 Approved
0.7372 Intermediate Similarity NPD4062 Phase 3
0.7371 Intermediate Similarity NPD3751 Discontinued
0.7365 Intermediate Similarity NPD7028 Phase 2
0.7342 Intermediate Similarity NPD6653 Approved
0.7341 Intermediate Similarity NPD6232 Discontinued
0.7337 Intermediate Similarity NPD1465 Phase 2
0.7337 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD2801 Approved
0.733 Intermediate Similarity NPD5844 Phase 1
0.7329 Intermediate Similarity NPD5958 Discontinued
0.7325 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD1357 Approved
0.7303 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD7435 Discontinued
0.7294 Intermediate Similarity NPD5402 Approved
0.7293 Intermediate Similarity NPD8434 Phase 2
0.729 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD5058 Phase 3
0.725 Intermediate Similarity NPD7033 Discontinued
0.7239 Intermediate Similarity NPD8166 Discontinued
0.7237 Intermediate Similarity NPD1608 Approved
0.7226 Intermediate Similarity NPD2861 Phase 2
0.7226 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD5494 Approved
0.7222 Intermediate Similarity NPD4534 Discontinued
0.7215 Intermediate Similarity NPD3620 Phase 2
0.7215 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD2438 Suspended
0.7197 Intermediate Similarity NPD3764 Approved
0.7197 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD6801 Discontinued
0.7171 Intermediate Similarity NPD1091 Approved
0.717 Intermediate Similarity NPD230 Phase 1
0.716 Intermediate Similarity NPD6004 Phase 3
0.716 Intermediate Similarity NPD6005 Phase 3
0.716 Intermediate Similarity NPD4380 Phase 2
0.716 Intermediate Similarity NPD6002 Phase 3
0.716 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5283 Phase 1
0.7135 Intermediate Similarity NPD2978 Approved
0.7135 Intermediate Similarity NPD2977 Approved
0.7134 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD1512 Approved
0.7118 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7458 Discontinued
0.7083 Intermediate Similarity NPD5403 Approved
0.7081 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD7874 Approved
0.7077 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6778 Approved
0.7053 Intermediate Similarity NPD6779 Approved
0.7053 Intermediate Similarity NPD6780 Approved
0.7053 Intermediate Similarity NPD6781 Approved
0.7053 Intermediate Similarity NPD6782 Approved
0.7053 Intermediate Similarity NPD6776 Approved
0.7053 Intermediate Similarity NPD6777 Approved
0.7051 Intermediate Similarity NPD5647 Approved
0.7045 Intermediate Similarity NPD7229 Phase 3
0.7039 Intermediate Similarity NPD17 Approved
0.7035 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7819 Suspended
0.7032 Intermediate Similarity NPD1283 Approved
0.7018 Intermediate Similarity NPD6385 Approved
0.7018 Intermediate Similarity NPD6386 Approved
0.7016 Intermediate Similarity NPD2493 Approved
0.7016 Intermediate Similarity NPD2494 Approved
0.7011 Intermediate Similarity NPD8150 Discontinued
0.7007 Intermediate Similarity NPD228 Approved
0.7006 Intermediate Similarity NPD1511 Approved
0.7006 Intermediate Similarity NPD6799 Approved
0.7006 Intermediate Similarity NPD9494 Approved
0.7 Intermediate Similarity NPD2979 Phase 3
0.6995 Remote Similarity NPD8319 Approved
0.6995 Remote Similarity NPD4583 Approved
0.6995 Remote Similarity NPD4582 Approved
0.6995 Remote Similarity NPD8320 Phase 1
0.6994 Remote Similarity NPD6100 Approved
0.6994 Remote Similarity NPD2935 Discontinued
0.6994 Remote Similarity NPD6099 Approved
0.6987 Remote Similarity NPD2797 Approved
0.6964 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6964 Remote Similarity NPD5401 Approved
0.6964 Remote Similarity NPD3146 Approved
0.6962 Remote Similarity NPD4908 Phase 1
0.6959 Remote Similarity NPD6599 Discontinued
0.6959 Remote Similarity NPD7999 Approved
0.6957 Remote Similarity NPD4340 Discontinued
0.6957 Remote Similarity NPD1933 Approved
0.6943 Remote Similarity NPD7698 Approved
0.6943 Remote Similarity NPD7696 Phase 3
0.6943 Remote Similarity NPD4002 Approved
0.6943 Remote Similarity NPD4004 Approved
0.6943 Remote Similarity NPD7697 Approved
0.6937 Remote Similarity NPD6663 Approved
0.6935 Remote Similarity NPD7930 Approved
0.6928 Remote Similarity NPD5125 Phase 3
0.6928 Remote Similarity NPD5126 Approved
0.6927 Remote Similarity NPD3452 Approved
0.6927 Remote Similarity NPD3450 Approved
0.6923 Remote Similarity NPD6273 Approved
0.6919 Remote Similarity NPD7827 Phase 1
0.6914 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6912 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7871 Phase 2
0.6907 Remote Similarity NPD7870 Phase 2
0.6899 Remote Similarity NPD5736 Approved
0.6898 Remote Similarity NPD2490 Approved
0.6898 Remote Similarity NPD2488 Approved
0.6897 Remote Similarity NPD5353 Approved
0.6897 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4140 Approved
0.6891 Remote Similarity NPD6823 Phase 2
0.6888 Remote Similarity NPD7701 Phase 2
0.6875 Remote Similarity NPD919 Approved
0.6875 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3268 Approved
0.6871 Remote Similarity NPD3021 Approved
0.6871 Remote Similarity NPD3022 Approved
0.6869 Remote Similarity NPD7801 Approved
0.6869 Remote Similarity NPD7783 Phase 2
0.6869 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6864 Remote Similarity NPD2533 Approved
0.6864 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6864 Remote Similarity NPD2534 Approved
0.6864 Remote Similarity NPD2532 Approved
0.6864 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5585 Approved
0.6859 Remote Similarity NPD4420 Approved
0.6853 Remote Similarity NPD8151 Discontinued
0.6852 Remote Similarity NPD447 Suspended
0.6848 Remote Similarity NPD1375 Discontinued

Structure

External Identifiers

PubChem CID   72948060
ChEMBL   CHEMBL3098861
ZINC  

Physicochemical Properties

Molecular Weight:  536.19
ALogP:  -3.2595
MLogP:  3
XLogP:  0.36
# Rotatable Bonds:  17
Polar Surface Area:  184.6
# H-Bond Aceptor:  8
# H-Bond Donor:  6
# Rings:  4
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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