Natural Product: NPC473163

Natural Product ID:  NPC473163
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H48O6
Standard InCHIKey:  QFRHSOZLXIIAOY-SUQVKKFHSA-N
Standard InCHI:  InChI=1S/C32H48O6/c1-18(16-22(38-19(2)33)27(36)29(5,6)37)26-20-10-11-24-30(7)14-13-25(35)28(3,4)23(30)12-15-31(24,8)32(20,9)17-21(26)34/h10-11,18,22-24,27,36-37H,12-17H2,1-9H3/t18-,22+,23+,24+,27+,30+,31+,32+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]([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 = 33410 nM 18031016

  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 NPC473163 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
0.9271 High Similarity NPC471582
0.9255 High Similarity NPC473172
0.9062 High Similarity NPC473164
0.8835 High Similarity NPC41405
0.8812 High Similarity NPC473175
0.88 High Similarity NPC473928
0.875 High Similarity NPC5284
0.8713 High Similarity NPC264048
0.866 High Similarity NPC473162
0.8627 High Similarity NPC255309
0.86 High Similarity NPC167974
0.8585 High Similarity NPC234042
0.8585 High Similarity NPC152117
0.8571 High Similarity NPC473170
0.8544 High Similarity NPC96377
0.8515 High Similarity NPC473174
0.8515 High Similarity NPC469327
0.8505 High Similarity NPC255017
0.8476 Intermediate Similarity NPC475065
0.8462 Intermediate Similarity NPC473284
0.84 Intermediate Similarity NPC473161
0.8396 Intermediate Similarity NPC239097
0.8384 Intermediate Similarity NPC473415
0.8384 Intermediate Similarity NPC30677
0.8384 Intermediate Similarity NPC37787
0.8384 Intermediate Similarity NPC469329
0.8384 Intermediate Similarity NPC180557
0.8381 Intermediate Similarity NPC475418
0.8381 Intermediate Similarity NPC318363
0.8381 Intermediate Similarity NPC473482
0.8333 Intermediate Similarity NPC115899
0.8317 Intermediate Similarity NPC471717
0.83 Intermediate Similarity NPC471153
0.83 Intermediate Similarity NPC471039
0.83 Intermediate Similarity NPC471775
0.8286 Intermediate Similarity NPC329048
0.8286 Intermediate Similarity NPC330011
0.8286 Intermediate Similarity NPC475294
0.8286 Intermediate Similarity NPC9457
0.8286 Intermediate Similarity NPC471783
0.8283 Intermediate Similarity NPC67831
0.8283 Intermediate Similarity NPC174051
0.8283 Intermediate Similarity NPC240617
0.8269 Intermediate Similarity NPC471293
0.8265 Intermediate Similarity NPC19114
0.8265 Intermediate Similarity NPC262870
0.8252 Intermediate Similarity NPC114540
0.8252 Intermediate Similarity NPC32577
0.8252 Intermediate Similarity NPC155332
0.8235 Intermediate Similarity NPC266955
0.8229 Intermediate Similarity NPC90652
0.8224 Intermediate Similarity NPC37116
0.8224 Intermediate Similarity NPC29133
0.8224 Intermediate Similarity NPC473627
0.82 Intermediate Similarity NPC88310
0.82 Intermediate Similarity NPC139459
0.819 Intermediate Similarity NPC181265
0.8182 Intermediate Similarity NPC79117
0.8173 Intermediate Similarity NPC239716
0.8173 Intermediate Similarity NPC72151
0.8173 Intermediate Similarity NPC475050
0.8148 Intermediate Similarity NPC470961
0.8144 Intermediate Similarity NPC44181
0.8144 Intermediate Similarity NPC470417
0.8131 Intermediate Similarity NPC310546
0.8131 Intermediate Similarity NPC170221
0.8131 Intermediate Similarity NPC10064
0.8125 Intermediate Similarity NPC324063
0.8125 Intermediate Similarity NPC473168
0.8119 Intermediate Similarity NPC471777
0.8119 Intermediate Similarity NPC471822
0.8113 Intermediate Similarity NPC44063
0.8113 Intermediate Similarity NPC473169
0.8108 Intermediate Similarity NPC471854
0.81 Intermediate Similarity NPC159410
0.81 Intermediate Similarity NPC49670
0.81 Intermediate Similarity NPC471078
0.81 Intermediate Similarity NPC473280
0.81 Intermediate Similarity NPC473435
0.81 Intermediate Similarity NPC471040
0.81 Intermediate Similarity NPC473431
0.8095 Intermediate Similarity NPC235889
0.8091 Intermediate Similarity NPC473898
0.8081 Intermediate Similarity NPC473986
0.8081 Intermediate Similarity NPC473166
0.8081 Intermediate Similarity NPC474018
0.8081 Intermediate Similarity NPC473167
0.8081 Intermediate Similarity NPC218301
0.8077 Intermediate Similarity NPC320447
0.8073 Intermediate Similarity NPC475524
0.8073 Intermediate Similarity NPC100267
0.8061 Intermediate Similarity NPC476733
0.8061 Intermediate Similarity NPC474570
0.8061 Intermediate Similarity NPC215029
0.8058 Intermediate Similarity NPC316964
0.8058 Intermediate Similarity NPC35751
0.8056 Intermediate Similarity NPC6206
0.8041 Intermediate Similarity NPC469322
0.8039 Intermediate Similarity NPC472732
0.8039 Intermediate Similarity NPC472731
0.8039 Intermediate Similarity NPC474785
0.8039 Intermediate Similarity NPC474938
0.8039 Intermediate Similarity NPC473456
0.8037 Intermediate Similarity NPC220155
0.8036 Intermediate Similarity NPC257457
0.8036 Intermediate Similarity NPC311554
0.8021 Intermediate Similarity NPC76333
0.802 Intermediate Similarity NPC470016
0.802 Intermediate Similarity NPC469599
0.802 Intermediate Similarity NPC171395
0.802 Intermediate Similarity NPC317586
0.8019 Intermediate Similarity NPC266570
0.8019 Intermediate Similarity NPC196528
0.8019 Intermediate Similarity NPC102352
0.8018 Intermediate Similarity NPC270929
0.8 Intermediate Similarity NPC469463
0.8 Intermediate Similarity NPC107674
0.8 Intermediate Similarity NPC473283
0.8 Intermediate Similarity NPC141497
0.8 Intermediate Similarity NPC469496
0.8 Intermediate Similarity NPC475526
0.8 Intermediate Similarity NPC86370
0.8 Intermediate Similarity NPC250109
0.8 Intermediate Similarity NPC469454
0.8 Intermediate Similarity NPC170220
0.8 Intermediate Similarity NPC329345
0.7982 Intermediate Similarity NPC43775
0.7981 Intermediate Similarity NPC101067
0.7981 Intermediate Similarity NPC476240
0.7981 Intermediate Similarity NPC224720
0.7981 Intermediate Similarity NPC99411
0.7981 Intermediate Similarity NPC476223
0.7981 Intermediate Similarity NPC476134
0.7981 Intermediate Similarity NPC282524
0.798 Intermediate Similarity NPC471896
0.798 Intermediate Similarity NPC474842
0.798 Intermediate Similarity NPC475965
0.798 Intermediate Similarity NPC289213
0.7979 Intermediate Similarity NPC327002
0.7965 Intermediate Similarity NPC270850
0.7965 Intermediate Similarity NPC305260
0.7965 Intermediate Similarity NPC161065
0.7963 Intermediate Similarity NPC472216
0.7963 Intermediate Similarity NPC246205
0.7963 Intermediate Similarity NPC2766
0.7963 Intermediate Similarity NPC5475
0.7963 Intermediate Similarity NPC258543
0.7963 Intermediate Similarity NPC173905
0.7963 Intermediate Similarity NPC241927
0.7963 Intermediate Similarity NPC284828
0.7963 Intermediate Similarity NPC304495
0.7963 Intermediate Similarity NPC153239
0.7961 Intermediate Similarity NPC203388
0.7961 Intermediate Similarity NPC57079
0.7961 Intermediate Similarity NPC472687
0.7961 Intermediate Similarity NPC99657
0.7961 Intermediate Similarity NPC114274
0.7961 Intermediate Similarity NPC471331
0.7961 Intermediate Similarity NPC471330
0.7961 Intermediate Similarity NPC108368
0.7959 Intermediate Similarity NPC97884
0.7959 Intermediate Similarity NPC310752
0.7959 Intermediate Similarity NPC255176
0.7959 Intermediate Similarity NPC292491
0.7959 Intermediate Similarity NPC472220
0.7946 Intermediate Similarity NPC470959
0.7946 Intermediate Similarity NPC312824
0.7946 Intermediate Similarity NPC284068
0.7946 Intermediate Similarity NPC476965
0.7946 Intermediate Similarity NPC470493
0.7946 Intermediate Similarity NPC183580
0.7944 Intermediate Similarity NPC220974
0.7944 Intermediate Similarity NPC144854
0.7944 Intermediate Similarity NPC59530
0.7944 Intermediate Similarity NPC3316
0.7941 Intermediate Similarity NPC472733
0.7941 Intermediate Similarity NPC111684
0.7941 Intermediate Similarity NPC328371
0.7941 Intermediate Similarity NPC301534
0.7941 Intermediate Similarity NPC58052
0.7941 Intermediate Similarity NPC230151
0.7941 Intermediate Similarity NPC250757
0.7941 Intermediate Similarity NPC472734
0.7938 Intermediate Similarity NPC195640
0.7938 Intermediate Similarity NPC325594
0.7938 Intermediate Similarity NPC73038
0.7938 Intermediate Similarity NPC89077
0.7928 Intermediate Similarity NPC471398
0.7925 Intermediate Similarity NPC75531
0.7925 Intermediate Similarity NPC13385
0.7925 Intermediate Similarity NPC149124
0.7921 Intermediate Similarity NPC166906
0.7921 Intermediate Similarity NPC184870
0.7921 Intermediate Similarity NPC74751
0.7921 Intermediate Similarity NPC318332
0.7917 Intermediate Similarity NPC85774
0.7917 Intermediate Similarity NPC214043
0.7909 Intermediate Similarity NPC474516
0.7909 Intermediate Similarity NPC470063
0.7909 Intermediate Similarity NPC191620

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473163 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
0.8411 Intermediate Similarity NPD8297 Approved
0.8218 Intermediate Similarity NPD6083 Phase 2
0.8218 Intermediate Similarity NPD6084 Phase 2
0.8208 Intermediate Similarity NPD6881 Approved
0.8208 Intermediate Similarity NPD6899 Approved
0.819 Intermediate Similarity NPD6402 Approved
0.819 Intermediate Similarity NPD7128 Approved
0.819 Intermediate Similarity NPD6675 Approved
0.819 Intermediate Similarity NPD5739 Approved
0.8148 Intermediate Similarity NPD8130 Phase 1
0.8113 Intermediate Similarity NPD5697 Approved
0.8056 Intermediate Similarity NPD6883 Approved
0.8056 Intermediate Similarity NPD7102 Approved
0.8056 Intermediate Similarity NPD7290 Approved
0.8037 Intermediate Similarity NPD7320 Approved
0.7982 Intermediate Similarity NPD6649 Approved
0.7982 Intermediate Similarity NPD6617 Approved
0.7982 Intermediate Similarity NPD6847 Approved
0.7982 Intermediate Similarity NPD6869 Approved
0.7982 Intermediate Similarity NPD6650 Approved
0.7963 Intermediate Similarity NPD6372 Approved
0.7963 Intermediate Similarity NPD6014 Approved
0.7963 Intermediate Similarity NPD6013 Approved
0.7963 Intermediate Similarity NPD6012 Approved
0.7963 Intermediate Similarity NPD6373 Approved
0.7944 Intermediate Similarity NPD5701 Approved
0.7938 Intermediate Similarity NPD6684 Approved
0.7938 Intermediate Similarity NPD7146 Approved
0.7938 Intermediate Similarity NPD7521 Approved
0.7938 Intermediate Similarity NPD7334 Approved
0.7938 Intermediate Similarity NPD6409 Approved
0.7938 Intermediate Similarity NPD5330 Approved
0.7921 Intermediate Similarity NPD7748 Approved
0.7909 Intermediate Similarity NPD6882 Approved
0.79 Intermediate Similarity NPD6411 Approved
0.79 Intermediate Similarity NPD6079 Approved
0.7879 Intermediate Similarity NPD5328 Approved
0.787 Intermediate Similarity NPD6011 Approved
0.7843 Intermediate Similarity NPD5695 Phase 3
0.7838 Intermediate Similarity NPD4632 Approved
0.7822 Intermediate Similarity NPD6399 Phase 3
0.7788 Intermediate Similarity NPD7115 Discovery
0.7788 Intermediate Similarity NPD5696 Approved
0.7778 Intermediate Similarity NPD6412 Phase 2
0.7778 Intermediate Similarity NPD6903 Approved
0.7778 Intermediate Similarity NPD6672 Approved
0.7778 Intermediate Similarity NPD5737 Approved
0.7778 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD6319 Approved
0.7732 Intermediate Similarity NPD3665 Phase 1
0.7732 Intermediate Similarity NPD3666 Approved
0.7732 Intermediate Similarity NPD3133 Approved
0.7723 Intermediate Similarity NPD7515 Phase 2
0.7723 Intermediate Similarity NPD5284 Approved
0.7723 Intermediate Similarity NPD5281 Approved
0.7714 Intermediate Similarity NPD5286 Approved
0.7714 Intermediate Similarity NPD4696 Approved
0.7714 Intermediate Similarity NPD5285 Approved
0.77 Intermediate Similarity NPD4753 Phase 2
0.77 Intermediate Similarity NPD6101 Approved
0.77 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD4755 Approved
0.7692 Intermediate Similarity NPD7902 Approved
0.7658 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD5222 Approved
0.7596 Intermediate Similarity NPD5221 Approved
0.7596 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD5279 Phase 3
0.7576 Intermediate Similarity NPD3618 Phase 1
0.757 Intermediate Similarity NPD5224 Approved
0.757 Intermediate Similarity NPD4633 Approved
0.757 Intermediate Similarity NPD5226 Approved
0.757 Intermediate Similarity NPD5211 Phase 2
0.757 Intermediate Similarity NPD5225 Approved
0.7551 Intermediate Similarity NPD4786 Approved
0.7549 Intermediate Similarity NPD5694 Approved
0.7549 Intermediate Similarity NPD6050 Approved
0.7547 Intermediate Similarity NPD4700 Approved
0.7526 Intermediate Similarity NPD3667 Approved
0.7525 Intermediate Similarity NPD6673 Approved
0.7525 Intermediate Similarity NPD6080 Approved
0.7525 Intermediate Similarity NPD6904 Approved
0.7524 Intermediate Similarity NPD5173 Approved
0.75 Intermediate Similarity NPD4629 Approved
0.75 Intermediate Similarity NPD5175 Approved
0.75 Intermediate Similarity NPD7100 Approved
0.75 Intermediate Similarity NPD7101 Approved
0.75 Intermediate Similarity NPD3573 Approved
0.75 Intermediate Similarity NPD5174 Approved
0.75 Intermediate Similarity NPD5210 Approved
0.7479 Intermediate Similarity NPD7492 Approved
0.7478 Intermediate Similarity NPD6009 Approved
0.7477 Intermediate Similarity NPD5223 Approved
0.7451 Intermediate Similarity NPD5692 Phase 3
0.7451 Intermediate Similarity NPD5207 Approved
0.7438 Intermediate Similarity NPD7736 Approved
0.7436 Intermediate Similarity NPD6054 Approved
0.7431 Intermediate Similarity NPD5141 Approved
0.7429 Intermediate Similarity NPD4697 Phase 3
0.7417 Intermediate Similarity NPD6616 Approved
0.7414 Intermediate Similarity NPD6335 Approved
0.7411 Intermediate Similarity NPD4634 Approved
0.7404 Intermediate Similarity NPD7900 Approved
0.7404 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD7604 Phase 2
0.7391 Intermediate Similarity NPD6274 Approved
0.7391 Intermediate Similarity NPD6868 Approved
0.7387 Intermediate Similarity NPD6686 Approved
0.7373 Intermediate Similarity NPD5983 Phase 2
0.7355 Intermediate Similarity NPD7078 Approved
0.7355 Intermediate Similarity NPD8293 Discontinued
0.7353 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD4223 Phase 3
0.7347 Intermediate Similarity NPD4221 Approved
0.7333 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD6317 Approved
0.7311 Intermediate Similarity NPD6370 Approved
0.7308 Intermediate Similarity NPD5778 Approved
0.7308 Intermediate Similarity NPD5779 Approved
0.7308 Intermediate Similarity NPD4202 Approved
0.73 Intermediate Similarity NPD5329 Approved
0.729 Intermediate Similarity NPD7638 Approved
0.7288 Intermediate Similarity NPD6059 Approved
0.7273 Intermediate Similarity NPD6336 Discontinued
0.7265 Intermediate Similarity NPD6313 Approved
0.7265 Intermediate Similarity NPD6314 Approved
0.7255 Intermediate Similarity NPD5208 Approved
0.725 Intermediate Similarity NPD8328 Phase 3
0.7232 Intermediate Similarity NPD4729 Approved
0.7232 Intermediate Similarity NPD4730 Approved
0.7228 Intermediate Similarity NPD4623 Approved
0.7228 Intermediate Similarity NPD4519 Discontinued
0.7228 Intermediate Similarity NPD4694 Approved
0.7228 Intermediate Similarity NPD5280 Approved
0.7228 Intermediate Similarity NPD6098 Approved
0.7227 Intermediate Similarity NPD6016 Approved
0.7227 Intermediate Similarity NPD6908 Approved
0.7227 Intermediate Similarity NPD6909 Approved
0.7227 Intermediate Similarity NPD6015 Approved
0.7222 Intermediate Similarity NPD7639 Approved
0.7222 Intermediate Similarity NPD7640 Approved
0.7212 Intermediate Similarity NPD5693 Phase 1
0.7207 Intermediate Similarity NPD4768 Approved
0.7207 Intermediate Similarity NPD4767 Approved
0.7207 Intermediate Similarity NPD6008 Approved
0.72 Intermediate Similarity NPD4197 Approved
0.7182 Intermediate Similarity NPD4754 Approved
0.7172 Intermediate Similarity NPD6435 Approved
0.7168 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD5988 Approved
0.7131 Intermediate Similarity NPD7507 Approved
0.713 Intermediate Similarity NPD4225 Approved
0.7105 Intermediate Similarity NPD5247 Approved
0.7105 Intermediate Similarity NPD5251 Approved
0.7105 Intermediate Similarity NPD5248 Approved
0.7105 Intermediate Similarity NPD5249 Phase 3
0.7105 Intermediate Similarity NPD5250 Approved
0.7083 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD5128 Approved
0.708 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4689 Approved
0.7059 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4690 Approved
0.7059 Intermediate Similarity NPD5205 Approved
0.7059 Intermediate Similarity NPD5690 Phase 2
0.7059 Intermediate Similarity NPD4688 Approved
0.7059 Intermediate Similarity NPD4138 Approved
0.7059 Intermediate Similarity NPD4693 Phase 3
0.7048 Intermediate Similarity NPD8034 Phase 2
0.7048 Intermediate Similarity NPD7983 Approved
0.7048 Intermediate Similarity NPD8035 Phase 2
0.7048 Intermediate Similarity NPD7637 Suspended
0.7043 Intermediate Similarity NPD5216 Approved
0.7043 Intermediate Similarity NPD5215 Approved
0.7043 Intermediate Similarity NPD5217 Approved
0.703 Intermediate Similarity NPD3668 Phase 3
0.7018 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD5654 Approved
0.7 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.699 Remote Similarity NPD7524 Approved
0.6983 Remote Similarity NPD6053 Discontinued
0.697 Remote Similarity NPD5368 Approved
0.697 Remote Similarity NPD4695 Discontinued
0.6961 Remote Similarity NPD7520 Clinical (unspecified phase)
0.696 Remote Similarity NPD7319 Approved
0.6957 Remote Similarity NPD5169 Approved
0.6957 Remote Similarity NPD5135 Approved
0.6957 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6942 Remote Similarity NPD7503 Approved
0.6939 Remote Similarity NPD3617 Approved
0.6931 Remote Similarity NPD4788 Approved
0.693 Remote Similarity NPD5168 Approved
0.6916 Remote Similarity NPD6001 Approved
0.6907 Remote Similarity NPD6933 Approved
0.6897 Remote Similarity NPD5127 Approved
0.6881 Remote Similarity NPD5959 Approved
0.6875 Remote Similarity NPD4058 Approved
0.6869 Remote Similarity NPD4195 Approved
0.681 Remote Similarity NPD5955 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3632943
ZINC  

Physicochemical Properties

Molecular Weight:  528.35
ALogP:  1.9457
MLogP:  4.32
XLogP:  5.067
# Rotatable Bonds:  18
Polar Surface Area:  100.9
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  38

Download Data

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