Natural Product: NPC473161

Natural Product ID:  NPC473161
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O5
Standard InCHIKey:  GHJSMGTZWLBPHU-DSAUVPRUSA-N
Standard InCHI:  InChI=1S/C30H44O5/c1-17(15-19(31)25(34)27(4,5)35)24-18-9-10-22-28(6)13-12-23(33)26(2,3)21(28)11-14-29(22,7)30(18,8)16-20(24)32/h9-10,17,21-22,25,34-35H,11-16H2,1-8H3/t17-,21+,22+,25+,28+,29+,30+/m1/s1
Canonical SMILES:  O=C([C@@H](C(O)(C)C)O)C[C@H](C1=C2C=C[C@@H]3[C@]([C@]2(CC1=O)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
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
NPO30648 Alisma orientale Species Alismataceae Eukaryota Rhizomes PMID[26425784]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT203 Individual Protein Carboxylesterase 2 Homo sapiens IC50 = 10140 nM 25499431

  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 NPC473161 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
0.9247 High Similarity NPC473164
0.9032 High Similarity NPC473172
0.8936 High Similarity NPC280725
0.8632 High Similarity NPC473162
0.8557 High Similarity NPC472074
0.8557 High Similarity NPC472073
0.8478 Intermediate Similarity NPC473168
0.8421 Intermediate Similarity NPC19114
0.84 Intermediate Similarity NPC473163
0.8387 Intermediate Similarity NPC90652
0.8387 Intermediate Similarity NPC99909
0.8351 Intermediate Similarity NPC473170
0.8333 Intermediate Similarity NPC474807
0.8333 Intermediate Similarity NPC233118
0.8316 Intermediate Similarity NPC129913
0.8298 Intermediate Similarity NPC44181
0.8298 Intermediate Similarity NPC470417
0.8283 Intermediate Similarity NPC147954
0.828 Intermediate Similarity NPC89077
0.828 Intermediate Similarity NPC327115
0.8261 Intermediate Similarity NPC237712
0.8261 Intermediate Similarity NPC85774
0.8261 Intermediate Similarity NPC214043
0.8252 Intermediate Similarity NPC473169
0.8242 Intermediate Similarity NPC469325
0.8229 Intermediate Similarity NPC473167
0.8211 Intermediate Similarity NPC474245
0.8211 Intermediate Similarity NPC32830
0.8211 Intermediate Similarity NPC310010
0.8211 Intermediate Similarity NPC326627
0.8191 Intermediate Similarity NPC141292
0.8191 Intermediate Similarity NPC58063
0.8191 Intermediate Similarity NPC136548
0.8182 Intermediate Similarity NPC474938
0.8182 Intermediate Similarity NPC474785
0.8172 Intermediate Similarity NPC79573
0.8163 Intermediate Similarity NPC88310
0.8152 Intermediate Similarity NPC86370
0.8144 Intermediate Similarity NPC474736
0.8137 Intermediate Similarity NPC239716
0.8137 Intermediate Similarity NPC475050
0.8132 Intermediate Similarity NPC121984
0.8119 Intermediate Similarity NPC473174
0.8105 Intermediate Similarity NPC310752
0.8105 Intermediate Similarity NPC292491
0.8085 Intermediate Similarity NPC31564
0.8085 Intermediate Similarity NPC51014
0.8085 Intermediate Similarity NPC474778
0.8085 Intermediate Similarity NPC474733
0.8085 Intermediate Similarity NPC145879
0.8085 Intermediate Similarity NPC194417
0.8085 Intermediate Similarity NPC474732
0.8085 Intermediate Similarity NPC94666
0.8081 Intermediate Similarity NPC471153
0.8065 Intermediate Similarity NPC473246
0.8065 Intermediate Similarity NPC321187
0.8065 Intermediate Similarity NPC329043
0.8065 Intermediate Similarity NPC58841
0.8065 Intermediate Similarity NPC161423
0.8065 Intermediate Similarity NPC227064
0.8061 Intermediate Similarity NPC299100
0.8061 Intermediate Similarity NPC196485
0.8061 Intermediate Similarity NPC8993
0.8061 Intermediate Similarity NPC245972
0.8043 Intermediate Similarity NPC212083
0.8041 Intermediate Similarity NPC475806
0.8041 Intermediate Similarity NPC168027
0.8041 Intermediate Similarity NPC185936
0.8022 Intermediate Similarity NPC2482
0.8021 Intermediate Similarity NPC31985
0.8021 Intermediate Similarity NPC477943
0.8021 Intermediate Similarity NPC76879
0.8021 Intermediate Similarity NPC1015
0.802 Intermediate Similarity NPC110149
0.8 Intermediate Similarity NPC96496
0.8 Intermediate Similarity NPC475740
0.8 Intermediate Similarity NPC93778
0.7981 Intermediate Similarity NPC166607
0.798 Intermediate Similarity NPC180950
0.7979 Intermediate Similarity NPC470574
0.7979 Intermediate Similarity NPC469948
0.7961 Intermediate Similarity NPC117185
0.7959 Intermediate Similarity NPC211230
0.7959 Intermediate Similarity NPC134826
0.7941 Intermediate Similarity NPC282524
0.7938 Intermediate Similarity NPC320026
0.7938 Intermediate Similarity NPC85173
0.7935 Intermediate Similarity NPC116797
0.7935 Intermediate Similarity NPC14151
0.7921 Intermediate Similarity NPC191565
0.7921 Intermediate Similarity NPC153776
0.7921 Intermediate Similarity NPC472729
0.7921 Intermediate Similarity NPC472730
0.7921 Intermediate Similarity NPC177680
0.7917 Intermediate Similarity NPC328313
0.7912 Intermediate Similarity NPC474113
0.7905 Intermediate Similarity NPC58370
0.7905 Intermediate Similarity NPC330011
0.7905 Intermediate Similarity NPC43285
0.7905 Intermediate Similarity NPC473284
0.7905 Intermediate Similarity NPC329048
0.7905 Intermediate Similarity NPC185
0.79 Intermediate Similarity NPC269492
0.79 Intermediate Similarity NPC21681
0.79 Intermediate Similarity NPC472675
0.7895 Intermediate Similarity NPC229717
0.7895 Intermediate Similarity NPC118648
0.7895 Intermediate Similarity NPC222613
0.7895 Intermediate Similarity NPC475022
0.7895 Intermediate Similarity NPC158393
0.7895 Intermediate Similarity NPC20688
0.7889 Intermediate Similarity NPC325946
0.7885 Intermediate Similarity NPC160843
0.7879 Intermediate Similarity NPC67831
0.7879 Intermediate Similarity NPC49670
0.7879 Intermediate Similarity NPC474328
0.7879 Intermediate Similarity NPC318332
0.7879 Intermediate Similarity NPC474690
0.7879 Intermediate Similarity NPC474882
0.7879 Intermediate Similarity NPC174051
0.7872 Intermediate Similarity NPC82902
0.7872 Intermediate Similarity NPC221758
0.7872 Intermediate Similarity NPC144258
0.7872 Intermediate Similarity NPC473157
0.7872 Intermediate Similarity NPC59453
0.7864 Intermediate Similarity NPC87351
0.7857 Intermediate Similarity NPC155304
0.7857 Intermediate Similarity NPC262870
0.7857 Intermediate Similarity NPC272746
0.7857 Intermediate Similarity NPC473998
0.785 Intermediate Similarity NPC235077
0.7849 Intermediate Similarity NPC48362
0.7849 Intermediate Similarity NPC151519
0.7849 Intermediate Similarity NPC103486
0.7843 Intermediate Similarity NPC472727
0.7843 Intermediate Similarity NPC144956
0.7843 Intermediate Similarity NPC472728
0.7835 Intermediate Similarity NPC186688
0.7835 Intermediate Similarity NPC26959
0.7835 Intermediate Similarity NPC229871
0.7835 Intermediate Similarity NPC119416
0.7835 Intermediate Similarity NPC469319
0.7835 Intermediate Similarity NPC2983
0.7835 Intermediate Similarity NPC268406
0.7835 Intermediate Similarity NPC184663
0.7835 Intermediate Similarity NPC309603
0.7835 Intermediate Similarity NPC473999
0.7822 Intermediate Similarity NPC43747
0.7822 Intermediate Similarity NPC273269
0.7822 Intermediate Similarity NPC18509
0.7812 Intermediate Similarity NPC469314
0.7812 Intermediate Similarity NPC241875
0.7812 Intermediate Similarity NPC317590
0.7812 Intermediate Similarity NPC287079
0.7812 Intermediate Similarity NPC469317
0.78 Intermediate Similarity NPC139459
0.78 Intermediate Similarity NPC263347
0.7789 Intermediate Similarity NPC474218
0.7789 Intermediate Similarity NPC471224
0.7788 Intermediate Similarity NPC247957
0.7788 Intermediate Similarity NPC320294
0.7788 Intermediate Similarity NPC249187
0.7788 Intermediate Similarity NPC311612
0.7778 Intermediate Similarity NPC109305
0.7778 Intermediate Similarity NPC12722
0.7778 Intermediate Similarity NPC475255
0.7778 Intermediate Similarity NPC250575
0.7757 Intermediate Similarity NPC214644
0.7757 Intermediate Similarity NPC470257
0.7757 Intermediate Similarity NPC475065
0.7755 Intermediate Similarity NPC48010
0.7755 Intermediate Similarity NPC126993
0.7755 Intermediate Similarity NPC171441
0.7745 Intermediate Similarity NPC471717
0.7745 Intermediate Similarity NPC471582
0.7745 Intermediate Similarity NPC103051
0.7742 Intermediate Similarity NPC189237
0.7742 Intermediate Similarity NPC225515
0.7736 Intermediate Similarity NPC165873
0.7732 Intermediate Similarity NPC328539
0.7732 Intermediate Similarity NPC474854
0.7732 Intermediate Similarity NPC53911
0.7732 Intermediate Similarity NPC158778
0.7732 Intermediate Similarity NPC471722
0.7732 Intermediate Similarity NPC471724
0.7723 Intermediate Similarity NPC472941
0.7723 Intermediate Similarity NPC301534
0.7723 Intermediate Similarity NPC250757
0.7723 Intermediate Similarity NPC249954
0.7723 Intermediate Similarity NPC456
0.7723 Intermediate Similarity NPC471463
0.7723 Intermediate Similarity NPC472733
0.7723 Intermediate Similarity NPC192428
0.7723 Intermediate Similarity NPC49371
0.7723 Intermediate Similarity NPC117133
0.7723 Intermediate Similarity NPC472734
0.7723 Intermediate Similarity NPC473158
0.7714 Intermediate Similarity NPC473175
0.7708 Intermediate Similarity NPC72133
0.7708 Intermediate Similarity NPC324063

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473161 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
0.8351 Intermediate Similarity NPD5210 Approved
0.8351 Intermediate Similarity NPD4629 Approved
0.828 Intermediate Similarity NPD5279 Phase 3
0.8211 Intermediate Similarity NPD4753 Phase 2
0.8065 Intermediate Similarity NPD3133 Approved
0.8065 Intermediate Similarity NPD3665 Phase 1
0.8065 Intermediate Similarity NPD3666 Approved
0.7979 Intermediate Similarity NPD5329 Approved
0.79 Intermediate Similarity NPD5222 Approved
0.79 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.79 Intermediate Similarity NPD5221 Approved
0.7895 Intermediate Similarity NPD5280 Approved
0.7895 Intermediate Similarity NPD3618 Phase 1
0.7895 Intermediate Similarity NPD4694 Approved
0.7872 Intermediate Similarity NPD4786 Approved
0.7872 Intermediate Similarity NPD4197 Approved
0.7857 Intermediate Similarity NPD6079 Approved
0.785 Intermediate Similarity NPD4634 Approved
0.7849 Intermediate Similarity NPD3667 Approved
0.7843 Intermediate Similarity NPD5285 Approved
0.7843 Intermediate Similarity NPD5286 Approved
0.7843 Intermediate Similarity NPD4696 Approved
0.7835 Intermediate Similarity NPD5328 Approved
0.7822 Intermediate Similarity NPD6083 Phase 2
0.7822 Intermediate Similarity NPD5173 Approved
0.7822 Intermediate Similarity NPD6084 Phase 2
0.7822 Intermediate Similarity NPD4755 Approved
0.7767 Intermediate Similarity NPD5223 Approved
0.7745 Intermediate Similarity NPD5696 Approved
0.7723 Intermediate Similarity NPD4697 Phase 3
0.7708 Intermediate Similarity NPD5690 Phase 2
0.7708 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD5224 Approved
0.7692 Intermediate Similarity NPD4633 Approved
0.7692 Intermediate Similarity NPD5225 Approved
0.7692 Intermediate Similarity NPD5211 Phase 2
0.7692 Intermediate Similarity NPD5226 Approved
0.767 Intermediate Similarity NPD4700 Approved
0.766 Intermediate Similarity NPD4223 Phase 3
0.766 Intermediate Similarity NPD4221 Approved
0.7634 Intermediate Similarity NPD4695 Discontinued
0.7619 Intermediate Similarity NPD5175 Approved
0.7619 Intermediate Similarity NPD5174 Approved
0.7609 Intermediate Similarity NPD3617 Approved
0.76 Intermediate Similarity NPD4202 Approved
0.7551 Intermediate Similarity NPD6672 Approved
0.7551 Intermediate Similarity NPD5737 Approved
0.7547 Intermediate Similarity NPD5141 Approved
0.7526 Intermediate Similarity NPD4623 Approved
0.7526 Intermediate Similarity NPD4519 Discontinued
0.75 Intermediate Similarity NPD7515 Phase 2
0.75 Intermediate Similarity NPD6881 Approved
0.75 Intermediate Similarity NPD5281 Approved
0.75 Intermediate Similarity NPD6899 Approved
0.75 Intermediate Similarity NPD5284 Approved
0.7477 Intermediate Similarity NPD5739 Approved
0.7477 Intermediate Similarity NPD6675 Approved
0.7477 Intermediate Similarity NPD7128 Approved
0.7477 Intermediate Similarity NPD6402 Approved
0.7475 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD4754 Approved
0.7451 Intermediate Similarity NPD5695 Phase 3
0.7407 Intermediate Similarity NPD5697 Approved
0.7387 Intermediate Similarity NPD8297 Approved
0.7364 Intermediate Similarity NPD7290 Approved
0.7364 Intermediate Similarity NPD6883 Approved
0.7364 Intermediate Similarity NPD7102 Approved
0.7358 Intermediate Similarity NPD5091 Approved
0.7347 Intermediate Similarity NPD5205 Approved
0.7347 Intermediate Similarity NPD5330 Approved
0.7347 Intermediate Similarity NPD7146 Approved
0.7347 Intermediate Similarity NPD7521 Approved
0.7347 Intermediate Similarity NPD7334 Approved
0.7347 Intermediate Similarity NPD4693 Phase 3
0.7347 Intermediate Similarity NPD4138 Approved
0.7347 Intermediate Similarity NPD4689 Approved
0.7347 Intermediate Similarity NPD4688 Approved
0.7347 Intermediate Similarity NPD4690 Approved
0.7347 Intermediate Similarity NPD6409 Approved
0.7347 Intermediate Similarity NPD6684 Approved
0.7339 Intermediate Similarity NPD4729 Approved
0.7339 Intermediate Similarity NPD4730 Approved
0.7339 Intermediate Similarity NPD6011 Approved
0.7339 Intermediate Similarity NPD7320 Approved
0.7327 Intermediate Similarity NPD6050 Approved
0.7327 Intermediate Similarity NPD5694 Approved
0.7321 Intermediate Similarity NPD4632 Approved
0.732 Intermediate Similarity NPD3668 Phase 3
0.7315 Intermediate Similarity NPD4768 Approved
0.7315 Intermediate Similarity NPD4767 Approved
0.7304 Intermediate Similarity NPD4522 Approved
0.73 Intermediate Similarity NPD6904 Approved
0.73 Intermediate Similarity NPD6080 Approved
0.73 Intermediate Similarity NPD6673 Approved
0.7297 Intermediate Similarity NPD6649 Approved
0.7297 Intermediate Similarity NPD8130 Phase 1
0.7297 Intermediate Similarity NPD6847 Approved
0.7297 Intermediate Similarity NPD6869 Approved
0.7297 Intermediate Similarity NPD6617 Approved
0.7297 Intermediate Similarity NPD6650 Approved
0.7281 Intermediate Similarity NPD7115 Discovery
0.7273 Intermediate Similarity NPD6014 Approved
0.7273 Intermediate Similarity NPD6013 Approved
0.7273 Intermediate Similarity NPD6373 Approved
0.7273 Intermediate Similarity NPD6012 Approved
0.7273 Intermediate Similarity NPD6372 Approved
0.7263 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD6399 Phase 3
0.7255 Intermediate Similarity NPD5133 Approved
0.7248 Intermediate Similarity NPD5701 Approved
0.7248 Intermediate Similarity NPD6412 Phase 2
0.7241 Intermediate Similarity NPD6054 Approved
0.7241 Intermediate Similarity NPD6319 Approved
0.7232 Intermediate Similarity NPD6882 Approved
0.7228 Intermediate Similarity NPD5692 Phase 3
0.7216 Intermediate Similarity NPD4788 Approved
0.7207 Intermediate Similarity NPD5247 Approved
0.7207 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD5249 Phase 3
0.7207 Intermediate Similarity NPD5135 Approved
0.7207 Intermediate Similarity NPD5250 Approved
0.7207 Intermediate Similarity NPD5169 Approved
0.7207 Intermediate Similarity NPD5251 Approved
0.7207 Intermediate Similarity NPD5248 Approved
0.7204 Intermediate Similarity NPD6933 Approved
0.72 Intermediate Similarity NPD6903 Approved
0.72 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD7748 Approved
0.7182 Intermediate Similarity NPD5168 Approved
0.7182 Intermediate Similarity NPD5128 Approved
0.7174 Intermediate Similarity NPD4058 Approved
0.7158 Intermediate Similarity NPD4195 Approved
0.7157 Intermediate Similarity NPD6411 Approved
0.7143 Intermediate Similarity NPD5215 Approved
0.7143 Intermediate Similarity NPD5127 Approved
0.7143 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5216 Approved
0.7143 Intermediate Similarity NPD5217 Approved
0.7119 Intermediate Similarity NPD6370 Approved
0.7094 Intermediate Similarity NPD6059 Approved
0.7059 Intermediate Similarity NPD4096 Approved
0.7034 Intermediate Similarity NPD6016 Approved
0.7034 Intermediate Similarity NPD6015 Approved
0.703 Intermediate Similarity NPD4518 Approved
0.7019 Intermediate Similarity NPD5282 Discontinued
0.7 Intermediate Similarity NPD6098 Approved
0.7 Intermediate Similarity NPD7492 Approved
0.699 Remote Similarity NPD5693 Phase 1
0.6989 Remote Similarity NPD4687 Approved
0.6989 Remote Similarity NPD6924 Approved
0.6989 Remote Similarity NPD6926 Approved
0.6989 Remote Similarity NPD5733 Approved
0.6983 Remote Similarity NPD6009 Approved
0.6981 Remote Similarity NPD7902 Approved
0.6975 Remote Similarity NPD5988 Approved
0.6961 Remote Similarity NPD6101 Approved
0.6961 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6957 Remote Similarity NPD5167 Approved
0.6942 Remote Similarity NPD6616 Approved
0.6923 Remote Similarity NPD6335 Approved
0.6923 Remote Similarity NPD4137 Phase 3
0.6915 Remote Similarity NPD6942 Approved
0.6915 Remote Similarity NPD7339 Approved
0.6907 Remote Similarity NPD7525 Registered
0.69 Remote Similarity NPD1696 Phase 3
0.6897 Remote Similarity NPD6868 Approved
0.6893 Remote Similarity NPD5207 Approved
0.6885 Remote Similarity NPD7078 Approved
0.6864 Remote Similarity NPD7100 Approved
0.6864 Remote Similarity NPD7101 Approved
0.6848 Remote Similarity NPD4747 Approved
0.6848 Remote Similarity NPD4691 Approved
0.6842 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6838 Remote Similarity NPD6317 Approved
0.6829 Remote Similarity NPD7736 Approved
0.6792 Remote Similarity NPD5654 Approved
0.6792 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6614 Approved
0.678 Remote Similarity NPD6314 Approved
0.678 Remote Similarity NPD6313 Approved
0.6777 Remote Similarity NPD7604 Phase 2
0.6774 Remote Similarity NPD5276 Approved
0.6759 Remote Similarity NPD7638 Approved
0.6752 Remote Similarity NPD6274 Approved
0.675 Remote Similarity NPD5983 Phase 2
0.6748 Remote Similarity NPD8293 Discontinued
0.6735 Remote Similarity NPD7509 Discontinued
0.6733 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6729 Remote Similarity NPD7614 Phase 1
0.6701 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6699 Remote Similarity NPD5208 Approved
0.6698 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6698 Remote Similarity NPD7900 Approved
0.6697 Remote Similarity NPD7640 Approved
0.6697 Remote Similarity NPD7639 Approved
0.6694 Remote Similarity NPD6033 Approved
0.6667 Remote Similarity NPD4789 Approved
0.6667 Remote Similarity NPD5959 Approved
0.6667 Remote Similarity NPD7144 Approved
0.6667 Remote Similarity NPD4139 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3632941
ZINC  

Physicochemical Properties

Molecular Weight:  484.32
ALogP:  1.486
MLogP:  4.21
XLogP:  4.184
# Rotatable Bonds:  15
Polar Surface Area:  91.67
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  35

Download Data

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