Natural Product: NPC107120

Natural Product ID:  NPC107120
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H30O10
Standard InCHIKey:  RILIBNNLUUUUJS-ZVTAQKPHSA-N
Standard InCHI:  InChI=1S/C26H30O10/c1-11-20(29)12(2)23-19-17(9-16(33-22(11)19)14-5-7-15(31-4)8-6-14)34-25-24(32-13(3)28)21(30)18(10-27)35-26(25)36-23/h5-8,16-18,21,24-27,29-30H,9-10H2,1-4H3/t16-,17-,18+,21+,24-,25+,26-/m0/s1
Canonical SMILES:  OC[C@H]1O[C@H]2Oc3c4[C@@H](O[C@@H]2[C@H]([C@@H]1O)OC(=O)C)C[C@H](Oc4c(c(c3C)O)C)c1ccc(cc1)OC
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
NPO16914 Abacopteris penangiana NA NA NA Rhizomes PMID[16499328]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 = 4.1 ug/ml 16499328

  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 NPC107120 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
1.0 High Similarity NPC74320
0.971 High Similarity NPC128337
0.971 High Similarity NPC230718
0.971 High Similarity NPC84207
0.971 High Similarity NPC49542
0.971 High Similarity NPC5253
0.971 High Similarity NPC139976
0.9433 High Similarity NPC177597
0.942 High Similarity NPC87777
0.942 High Similarity NPC262328
0.9366 High Similarity NPC226722
0.9296 High Similarity NPC225445
0.9225 High Similarity NPC116922
0.9103 High Similarity NPC87950
0.9103 High Similarity NPC471764
0.9021 High Similarity NPC472353
0.9007 High Similarity NPC124149
0.8966 High Similarity NPC85624
0.8951 High Similarity NPC108674
0.8951 High Similarity NPC210192
0.8936 High Similarity NPC166180
0.8926 High Similarity NPC53587
0.8926 High Similarity NPC169404
0.8926 High Similarity NPC176186
0.8919 High Similarity NPC107197
0.8912 High Similarity NPC169510
0.8904 High Similarity NPC125755
0.8897 High Similarity NPC469313
0.8897 High Similarity NPC168579
0.8897 High Similarity NPC76176
0.8897 High Similarity NPC138227
0.8867 High Similarity NPC150442
0.8865 High Similarity NPC238243
0.8865 High Similarity NPC79957
0.8849 High Similarity NPC103799
0.8844 High Similarity NPC473480
0.8844 High Similarity NPC296377
0.8844 High Similarity NPC15538
0.8836 High Similarity NPC161700
0.8836 High Similarity NPC277867
0.8828 High Similarity NPC37793
0.8803 High Similarity NPC197723
0.8803 High Similarity NPC3293
0.8803 High Similarity NPC138350
0.8803 High Similarity NPC40664
0.8803 High Similarity NPC165482
0.88 High Similarity NPC302610
0.8794 High Similarity NPC188555
0.8794 High Similarity NPC130496
0.8792 High Similarity NPC100818
0.8776 High Similarity NPC102280
0.8776 High Similarity NPC155564
0.8776 High Similarity NPC248053
0.8741 High Similarity NPC134260
0.8733 High Similarity NPC259707
0.8723 High Similarity NPC215037
0.8723 High Similarity NPC115022
0.8723 High Similarity NPC294166
0.8707 High Similarity NPC469701
0.8707 High Similarity NPC475096
0.869 High Similarity NPC5155
0.8681 High Similarity NPC475836
0.8675 High Similarity NPC215060
0.8675 High Similarity NPC476352
0.8671 High Similarity NPC103409
0.8658 High Similarity NPC93924
0.8658 High Similarity NPC280945
0.8652 High Similarity NPC85799
0.8652 High Similarity NPC26080
0.8652 High Similarity NPC303422
0.8652 High Similarity NPC165686
0.8649 High Similarity NPC99515
0.8649 High Similarity NPC190714
0.8639 High Similarity NPC471824
0.8633 High Similarity NPC87224
0.8633 High Similarity NPC274717
0.8633 High Similarity NPC222572
0.863 High Similarity NPC189115
0.863 High Similarity NPC145319
0.863 High Similarity NPC475084
0.8623 High Similarity NPC276212
0.8609 High Similarity NPC473621
0.86 High Similarity NPC106138
0.8592 High Similarity NPC92805
0.8591 High Similarity NPC227902
0.8591 High Similarity NPC469700
0.8582 High Similarity NPC121376
0.8582 High Similarity NPC475067
0.8571 High Similarity NPC473044
0.8571 High Similarity NPC206378
0.8571 High Similarity NPC127406
0.8562 High Similarity NPC257095
0.8562 High Similarity NPC273932
0.8562 High Similarity NPC469661
0.8562 High Similarity NPC152771
0.8562 High Similarity NPC89686
0.8562 High Similarity NPC215512
0.8562 High Similarity NPC100482
0.8562 High Similarity NPC476442
0.8562 High Similarity NPC195357
0.8562 High Similarity NPC277331
0.8553 High Similarity NPC21902
0.8553 High Similarity NPC59692
0.8552 High Similarity NPC279573
0.8551 High Similarity NPC103420
0.8551 High Similarity NPC188022
0.8551 High Similarity NPC17809
0.8551 High Similarity NPC207179
0.8551 High Similarity NPC102540
0.8551 High Similarity NPC167571
0.8551 High Similarity NPC278552
0.8551 High Similarity NPC285040
0.8543 High Similarity NPC472710
0.8543 High Similarity NPC472709
0.8542 High Similarity NPC38099
0.8542 High Similarity NPC26954
0.8542 High Similarity NPC18189
0.8542 High Similarity NPC20829
0.8542 High Similarity NPC262585
0.8535 High Similarity NPC259834
0.8535 High Similarity NPC44947
0.8535 High Similarity NPC190450
0.8533 High Similarity NPC175976
0.8533 High Similarity NPC270751
0.8531 High Similarity NPC117048
0.8531 High Similarity NPC124085
0.8526 High Similarity NPC472320
0.8523 High Similarity NPC199928
0.8516 High Similarity NPC23817
0.8516 High Similarity NPC43638
0.8514 High Similarity NPC292443
0.8514 High Similarity NPC25292
0.8514 High Similarity NPC473045
0.8506 High Similarity NPC169248
0.8506 High Similarity NPC97052
0.8506 High Similarity NPC26195
0.8506 High Similarity NPC39351
0.8506 High Similarity NPC72649
0.8503 High Similarity NPC469559
0.8493 Intermediate Similarity NPC312881
0.8487 Intermediate Similarity NPC471403
0.8483 Intermediate Similarity NPC294456
0.8483 Intermediate Similarity NPC212124
0.8483 Intermediate Similarity NPC281014
0.8483 Intermediate Similarity NPC232246
0.8483 Intermediate Similarity NPC153818
0.8483 Intermediate Similarity NPC184861
0.8483 Intermediate Similarity NPC225106
0.8481 Intermediate Similarity NPC257566
0.8481 Intermediate Similarity NPC124155
0.8478 Intermediate Similarity NPC246648
0.8478 Intermediate Similarity NPC197351
0.8478 Intermediate Similarity NPC106914
0.8478 Intermediate Similarity NPC86502
0.8478 Intermediate Similarity NPC134195
0.8477 Intermediate Similarity NPC287294
0.8472 Intermediate Similarity NPC185778
0.8471 Intermediate Similarity NPC101636
0.8471 Intermediate Similarity NPC47923
0.8467 Intermediate Similarity NPC52740
0.8467 Intermediate Similarity NPC97240
0.8462 Intermediate Similarity NPC241600
0.8462 Intermediate Similarity NPC85435
0.8462 Intermediate Similarity NPC173726
0.8452 Intermediate Similarity NPC170475
0.8451 Intermediate Similarity NPC46137
0.8451 Intermediate Similarity NPC138777
0.8451 Intermediate Similarity NPC225384
0.8451 Intermediate Similarity NPC235294
0.8451 Intermediate Similarity NPC246869
0.8446 Intermediate Similarity NPC252169
0.8442 Intermediate Similarity NPC106625
0.8442 Intermediate Similarity NPC8712
0.844 Intermediate Similarity NPC218003
0.844 Intermediate Similarity NPC295970
0.8435 Intermediate Similarity NPC287286
0.8431 Intermediate Similarity NPC46283
0.8431 Intermediate Similarity NPC322899
0.8431 Intermediate Similarity NPC134911
0.8431 Intermediate Similarity NPC470264
0.8431 Intermediate Similarity NPC44192
0.8431 Intermediate Similarity NPC469944
0.8431 Intermediate Similarity NPC226108
0.8431 Intermediate Similarity NPC272552
0.8429 Intermediate Similarity NPC149796
0.8425 Intermediate Similarity NPC212770
0.8425 Intermediate Similarity NPC211110
0.8425 Intermediate Similarity NPC144512
0.8425 Intermediate Similarity NPC137262
0.8425 Intermediate Similarity NPC47040
0.8425 Intermediate Similarity NPC151946
0.8425 Intermediate Similarity NPC37428
0.8425 Intermediate Similarity NPC35501
0.8425 Intermediate Similarity NPC98777
0.8425 Intermediate Similarity NPC278600
0.8421 Intermediate Similarity NPC114740
0.8421 Intermediate Similarity NPC103116
0.8418 Intermediate Similarity NPC12326
0.8418 Intermediate Similarity NPC131745
0.8418 Intermediate Similarity NPC472876

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC107120 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
0.8323 Intermediate Similarity NPD8455 Phase 2
0.828 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8272 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8261 Intermediate Similarity NPD1091 Approved
0.8252 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD1653 Approved
0.8207 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8207 Intermediate Similarity NPD5124 Phase 1
0.8138 Intermediate Similarity NPD1613 Approved
0.8138 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8112 Intermediate Similarity NPD4908 Phase 1
0.8054 Intermediate Similarity NPD7266 Discontinued
0.8012 Intermediate Similarity NPD6559 Discontinued
0.8 Intermediate Similarity NPD7074 Phase 3
0.7988 Intermediate Similarity NPD7228 Approved
0.7947 Intermediate Similarity NPD1652 Phase 2
0.7939 Intermediate Similarity NPD7054 Approved
0.7937 Intermediate Similarity NPD7075 Discontinued
0.7898 Intermediate Similarity NPD4380 Phase 2
0.7892 Intermediate Similarity NPD7472 Approved
0.7877 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7872 Intermediate Similarity NPD1610 Phase 2
0.7862 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD7097 Phase 1
0.7844 Intermediate Similarity NPD6797 Phase 2
0.7842 Intermediate Similarity NPD1548 Phase 1
0.7808 Intermediate Similarity NPD3027 Phase 3
0.7799 Intermediate Similarity NPD6801 Discontinued
0.7799 Intermediate Similarity NPD37 Approved
0.7798 Intermediate Similarity NPD7251 Discontinued
0.7793 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6234 Discontinued
0.777 Intermediate Similarity NPD4060 Phase 1
0.7764 Intermediate Similarity NPD4965 Approved
0.7764 Intermediate Similarity NPD4967 Phase 2
0.7764 Intermediate Similarity NPD4966 Approved
0.7764 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD7808 Phase 3
0.775 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD422 Phase 1
0.7736 Intermediate Similarity NPD7411 Suspended
0.7736 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD6674 Discontinued
0.7683 Intermediate Similarity NPD7199 Phase 2
0.7677 Intermediate Similarity NPD5058 Phase 3
0.7665 Intermediate Similarity NPD3818 Discontinued
0.764 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD6798 Discontinued
0.7595 Intermediate Similarity NPD5403 Approved
0.7588 Intermediate Similarity NPD7240 Approved
0.7568 Intermediate Similarity NPD4625 Phase 3
0.7545 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD6166 Phase 2
0.7529 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD5844 Phase 1
0.75 Intermediate Similarity NPD4536 Approved
0.75 Intermediate Similarity NPD4538 Approved
0.75 Intermediate Similarity NPD8312 Approved
0.75 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8313 Approved
0.75 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD1934 Approved
0.7468 Intermediate Similarity NPD5401 Approved
0.7468 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD6233 Phase 2
0.7451 Intermediate Similarity NPD7033 Discontinued
0.7439 Intermediate Similarity NPD7768 Phase 2
0.7436 Intermediate Similarity NPD3750 Approved
0.7432 Intermediate Similarity NPD2861 Phase 2
0.7423 Intermediate Similarity NPD7819 Suspended
0.7419 Intermediate Similarity NPD1549 Phase 2
0.7405 Intermediate Similarity NPD7212 Phase 2
0.7405 Intermediate Similarity NPD7213 Phase 3
0.7405 Intermediate Similarity NPD6799 Approved
0.74 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD5402 Approved
0.7372 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6355 Discontinued
0.7358 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD8651 Approved
0.7338 Intermediate Similarity NPD5588 Approved
0.7338 Intermediate Similarity NPD5960 Phase 3
0.7337 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD4628 Phase 3
0.7308 Intermediate Similarity NPD2424 Discontinued
0.7303 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD7843 Approved
0.7286 Intermediate Similarity NPD5535 Approved
0.7279 Intermediate Similarity NPD4749 Approved
0.7273 Intermediate Similarity NPD3817 Phase 2
0.7262 Intermediate Similarity NPD6959 Discontinued
0.7255 Intermediate Similarity NPD4340 Discontinued
0.725 Intermediate Similarity NPD7447 Phase 1
0.725 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD2684 Approved
0.7244 Intermediate Similarity NPD5762 Approved
0.7244 Intermediate Similarity NPD5763 Approved
0.7239 Intermediate Similarity NPD6599 Discontinued
0.723 Intermediate Similarity NPD3225 Approved
0.7219 Intermediate Similarity NPD3787 Discontinued
0.7219 Intermediate Similarity NPD7585 Approved
0.7215 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD1465 Phase 2
0.7181 Intermediate Similarity NPD2797 Approved
0.7178 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD290 Approved
0.7166 Intermediate Similarity NPD7583 Approved
0.7158 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD4433 Discontinued
0.7134 Intermediate Similarity NPD6002 Phase 3
0.7134 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD6005 Phase 3
0.7134 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD6004 Phase 3
0.7133 Intermediate Similarity NPD7157 Approved
0.7125 Intermediate Similarity NPD6667 Approved
0.7125 Intermediate Similarity NPD6666 Approved
0.7124 Intermediate Similarity NPD4062 Phase 3
0.7123 Intermediate Similarity NPD5125 Phase 3
0.7123 Intermediate Similarity NPD5126 Approved
0.7119 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD6232 Discontinued
0.7115 Intermediate Similarity NPD3748 Approved
0.7108 Intermediate Similarity NPD2801 Approved
0.7105 Intermediate Similarity NPD7095 Approved
0.7101 Intermediate Similarity NPD5494 Approved
0.7097 Intermediate Similarity NPD7680 Approved
0.7081 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD3496 Discontinued
0.7074 Intermediate Similarity NPD7584 Approved
0.7073 Intermediate Similarity NPD7458 Discontinued
0.707 Intermediate Similarity NPD1551 Phase 2
0.707 Intermediate Similarity NPD4477 Approved
0.707 Intermediate Similarity NPD4476 Approved
0.707 Intermediate Similarity NPD2796 Approved
0.707 Intermediate Similarity NPD2935 Discontinued
0.7059 Intermediate Similarity NPD3268 Approved
0.7055 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD3751 Discontinued
0.7037 Intermediate Similarity NPD3536 Discontinued
0.7018 Intermediate Similarity NPD7229 Phase 3
0.7016 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7783 Phase 2
0.7007 Intermediate Similarity NPD5846 Approved
0.7007 Intermediate Similarity NPD6516 Phase 2
0.7006 Intermediate Similarity NPD2799 Discontinued
0.7006 Intermediate Similarity NPD1510 Phase 2
0.7 Intermediate Similarity NPD4535 Phase 3
0.7 Intermediate Similarity NPD4666 Phase 3
0.7 Intermediate Similarity NPD8151 Discontinued
0.6994 Remote Similarity NPD7473 Discontinued
0.6989 Remote Similarity NPD7685 Pre-registration
0.6975 Remote Similarity NPD1511 Approved
0.6974 Remote Similarity NPD3018 Phase 2
0.697 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6968 Remote Similarity NPD1240 Approved
0.6968 Remote Similarity NPD4140 Approved
0.6962 Remote Similarity NPD6099 Approved
0.6962 Remote Similarity NPD6100 Approved
0.6962 Remote Similarity NPD6032 Approved
0.6957 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7549 Discontinued
0.6948 Remote Similarity NPD1296 Phase 2
0.6944 Remote Similarity NPD6842 Approved
0.6944 Remote Similarity NPD6841 Approved
0.6944 Remote Similarity NPD6843 Phase 3
0.6941 Remote Similarity NPD5709 Phase 3
0.6933 Remote Similarity NPD3685 Discontinued
0.6928 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1933 Approved
0.6923 Remote Similarity NPD3882 Suspended
0.6915 Remote Similarity NPD7435 Discontinued
0.6913 Remote Similarity NPD1535 Discovery
0.6908 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6899 Remote Similarity NPD4108 Discontinued
0.6897 Remote Similarity NPD6671 Approved
0.6892 Remote Similarity NPD4626 Approved
0.689 Remote Similarity NPD1512 Approved
0.6882 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6882 Remote Similarity NPD3749 Approved
0.6879 Remote Similarity NPD6653 Approved
0.6879 Remote Similarity NPD1607 Approved
0.6871 Remote Similarity NPD1894 Discontinued
0.6867 Remote Similarity NPD1481 Phase 2
0.6857 Remote Similarity NPD968 Approved
0.6852 Remote Similarity NPD6190 Approved
0.6848 Remote Similarity NPD7427 Discontinued
0.6846 Remote Similarity NPD3847 Discontinued
0.6845 Remote Similarity NPD6777 Approved
0.6845 Remote Similarity NPD6781 Approved
0.6845 Remote Similarity NPD6779 Approved
0.6845 Remote Similarity NPD6776 Approved

Structure

External Identifiers

PubChem CID   11584214
ChEMBL   CHEMBL479892
ZINC  

Physicochemical Properties

Molecular Weight:  502.18
ALogP:  -1.2929
MLogP:  3.22
XLogP:  1.475
# Rotatable Bonds:  12
Polar Surface Area:  133.14
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  36

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs