Natural Product: NPC21220

Natural Product ID:  NPC21220
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O2
Standard InCHIKey:  OHBJTDOFSZKDPA-JNXYPKROSA-N
Standard InCHI:  InChI=1S/C20H32O2/c1-12-13-10-14(21)16-19(4)8-5-7-18(2,3)15(19)6-9-20(16,11-13)17(12)22/h12-16,21H,5-11H2,1-4H3/t12-,13+,14-,15+,16-,19+,20+/m0/s1
Canonical SMILES:  O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@]1(C)CCCC([C@H]1CC3)(C)C)C(=O)[C@H]2C
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
NPO32442 jungermannia fauriana Species Jungermanniaceae Eukaryota Guangxi Zhuang Autonomous Region, China PMID[25856683]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 50000 nM 22652254
NPT2 Others Unspecified IC50 > 50000 nM DrugMatrix in vitro pharmacology data
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 > 50000 nM 22119150
NPT858 Cell Line LNCaP Homo sapiens IC50 > 50000 nM 15104515
NPT90 Cell Line DU-145 Homo sapiens IC50 > 50000 nM 10.6019/CHEMBL1201861
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 50000 nM 16038541
NPT111 Cell Line K562 Homo sapiens IC50 > 50000 nM 21924611
NPT2 Others Unspecified IC50 > 50000 nM 20627740
NPT2 Others Unspecified IC50 > 50000 nM 10377219
NPT114 Cell Line LoVo Homo sapiens IC50 > 50000 nM 14510611
NPT2 Others Unspecified IC50 > 50000 nM 20669933
NPT2 Others Unspecified IC50 > 50000 nM 18180357
NPT2 Others Unspecified IC50 > 50000 nM 10.1039/C1MD00022E
NPT2 Others Unspecified IC50 > 50000 nM 19687244

  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 NPC21220 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 NPC125767
0.9857 High Similarity NPC472486
0.9857 High Similarity NPC472487
0.9444 High Similarity NPC221420
0.9429 High Similarity NPC232112
0.9306 High Similarity NPC475742
0.9306 High Similarity NPC5767
0.9286 High Similarity NPC89310
0.9286 High Similarity NPC151018
0.9286 High Similarity NPC58057
0.9286 High Similarity NPC156277
0.9286 High Similarity NPC320549
0.9189 High Similarity NPC320144
0.9178 High Similarity NPC23884
0.9167 High Similarity NPC174964
0.9167 High Similarity NPC97534
0.9167 High Similarity NPC159789
0.9167 High Similarity NPC273366
0.9167 High Similarity NPC195155
0.9054 High Similarity NPC185465
0.9028 High Similarity NPC133922
0.9028 High Similarity NPC254340
0.9 High Similarity NPC213178
0.9 High Similarity NPC327728
0.9 High Similarity NPC6120
0.9 High Similarity NPC131892
0.8919 High Similarity NPC475031
0.8904 High Similarity NPC212733
0.8889 High Similarity NPC310766
0.8831 High Similarity NPC317066
0.8784 High Similarity NPC4209
0.8767 High Similarity NPC280026
0.8767 High Similarity NPC167702
0.8732 High Similarity NPC324607
0.8732 High Similarity NPC321732
0.8718 High Similarity NPC327451
0.8714 High Similarity NPC472984
0.8667 High Similarity NPC207010
0.8667 High Similarity NPC317913
0.8667 High Similarity NPC143133
0.8667 High Similarity NPC298168
0.8608 High Similarity NPC50438
0.8592 High Similarity NPC474954
0.859 High Similarity NPC30583
0.859 High Similarity NPC61107
0.859 High Similarity NPC289486
0.859 High Similarity NPC268040
0.8571 High Similarity NPC477851
0.8571 High Similarity NPC470609
0.8553 High Similarity NPC34046
0.8553 High Similarity NPC80089
0.8553 High Similarity NPC224802
0.8553 High Similarity NPC171426
0.8553 High Similarity NPC324700
0.8533 High Similarity NPC471046
0.8514 High Similarity NPC159325
0.8514 High Similarity NPC472854
0.8514 High Similarity NPC168511
0.8493 Intermediate Similarity NPC473267
0.8481 Intermediate Similarity NPC118800
0.8472 Intermediate Similarity NPC319671
0.8472 Intermediate Similarity NPC469941
0.8472 Intermediate Similarity NPC252032
0.8472 Intermediate Similarity NPC476734
0.8462 Intermediate Similarity NPC58631
0.8462 Intermediate Similarity NPC469745
0.8442 Intermediate Similarity NPC201276
0.8442 Intermediate Similarity NPC80891
0.8442 Intermediate Similarity NPC472310
0.8421 Intermediate Similarity NPC264602
0.84 Intermediate Similarity NPC472311
0.8395 Intermediate Similarity NPC80700
0.8395 Intermediate Similarity NPC476727
0.8395 Intermediate Similarity NPC476726
0.8378 Intermediate Similarity NPC68426
0.8378 Intermediate Similarity NPC477229
0.8378 Intermediate Similarity NPC282905
0.8375 Intermediate Similarity NPC474482
0.8375 Intermediate Similarity NPC475745
0.8375 Intermediate Similarity NPC146683
0.8356 Intermediate Similarity NPC476731
0.8356 Intermediate Similarity NPC477929
0.8354 Intermediate Similarity NPC328007
0.8333 Intermediate Similarity NPC473225
0.8333 Intermediate Similarity NPC164999
0.8313 Intermediate Similarity NPC61688
0.8293 Intermediate Similarity NPC57469
0.8293 Intermediate Similarity NPC4643
0.8293 Intermediate Similarity NPC263802
0.8289 Intermediate Similarity NPC108840
0.825 Intermediate Similarity NPC475726
0.825 Intermediate Similarity NPC472743
0.8228 Intermediate Similarity NPC12933
0.8219 Intermediate Similarity NPC196197
0.8214 Intermediate Similarity NPC476296
0.8171 Intermediate Similarity NPC472738
0.8171 Intermediate Similarity NPC472272
0.8171 Intermediate Similarity NPC302111
0.8158 Intermediate Similarity NPC24014
0.8158 Intermediate Similarity NPC27349
0.8158 Intermediate Similarity NPC267753
0.8148 Intermediate Similarity NPC471044
0.8148 Intermediate Similarity NPC474996
0.8148 Intermediate Similarity NPC473336
0.8143 Intermediate Similarity NPC114891
0.8133 Intermediate Similarity NPC81759
0.8125 Intermediate Similarity NPC121121
0.8108 Intermediate Similarity NPC477850
0.8108 Intermediate Similarity NPC108131
0.8101 Intermediate Similarity NPC261616
0.8082 Intermediate Similarity NPC2568
0.8082 Intermediate Similarity NPC180777
0.8082 Intermediate Similarity NPC103647
0.8082 Intermediate Similarity NPC260319
0.8077 Intermediate Similarity NPC329117
0.8072 Intermediate Similarity NPC472497
0.8072 Intermediate Similarity NPC472495
0.8072 Intermediate Similarity NPC174619
0.8072 Intermediate Similarity NPC153604
0.8056 Intermediate Similarity NPC142712
0.8056 Intermediate Similarity NPC42060
0.8049 Intermediate Similarity NPC292553
0.8049 Intermediate Similarity NPC76518
0.8026 Intermediate Similarity NPC130011
0.8026 Intermediate Similarity NPC477930
0.8025 Intermediate Similarity NPC472498
0.8023 Intermediate Similarity NPC244356
0.8023 Intermediate Similarity NPC476189
0.8023 Intermediate Similarity NPC224060
0.8 Intermediate Similarity NPC148174
0.8 Intermediate Similarity NPC469940
0.8 Intermediate Similarity NPC50658
0.8 Intermediate Similarity NPC126642
0.8 Intermediate Similarity NPC71460
0.8 Intermediate Similarity NPC218585
0.7976 Intermediate Similarity NPC472739
0.7976 Intermediate Similarity NPC477614
0.7976 Intermediate Similarity NPC226491
0.7976 Intermediate Similarity NPC474719
0.7976 Intermediate Similarity NPC90676
0.7975 Intermediate Similarity NPC245029
0.7975 Intermediate Similarity NPC31302
0.7975 Intermediate Similarity NPC52951
0.7975 Intermediate Similarity NPC201459
0.7973 Intermediate Similarity NPC474962
0.7973 Intermediate Similarity NPC64466
0.7949 Intermediate Similarity NPC477918
0.7949 Intermediate Similarity NPC477919
0.7949 Intermediate Similarity NPC472746
0.7949 Intermediate Similarity NPC180199
0.7945 Intermediate Similarity NPC48079
0.7945 Intermediate Similarity NPC473230
0.7945 Intermediate Similarity NPC475884
0.7927 Intermediate Similarity NPC264665
0.7927 Intermediate Similarity NPC319909
0.7927 Intermediate Similarity NPC74595
0.7927 Intermediate Similarity NPC474233
0.7922 Intermediate Similarity NPC179858
0.7922 Intermediate Similarity NPC35871
0.7922 Intermediate Similarity NPC68565
0.7917 Intermediate Similarity NPC473276
0.7917 Intermediate Similarity NPC41577
0.7917 Intermediate Similarity NPC474380
0.7907 Intermediate Similarity NPC52756
0.7901 Intermediate Similarity NPC145143
0.7901 Intermediate Similarity NPC110780
0.7901 Intermediate Similarity NPC477858
0.7895 Intermediate Similarity NPC474123
0.7882 Intermediate Similarity NPC200580
0.7882 Intermediate Similarity NPC24705
0.7882 Intermediate Similarity NPC56962
0.7857 Intermediate Similarity NPC202937
0.7848 Intermediate Similarity NPC476732
0.7848 Intermediate Similarity NPC472608
0.7848 Intermediate Similarity NPC478128
0.7848 Intermediate Similarity NPC199965
0.7841 Intermediate Similarity NPC62407
0.7841 Intermediate Similarity NPC287354
0.7838 Intermediate Similarity NPC472741
0.7831 Intermediate Similarity NPC264317
0.7831 Intermediate Similarity NPC62572
0.7831 Intermediate Similarity NPC473350
0.7831 Intermediate Similarity NPC294438
0.7831 Intermediate Similarity NPC102292
0.7826 Intermediate Similarity NPC476735
0.7821 Intermediate Similarity NPC477933
0.7821 Intermediate Similarity NPC477932
0.7816 Intermediate Similarity NPC294263
0.7816 Intermediate Similarity NPC161035
0.7808 Intermediate Similarity NPC44122
0.7808 Intermediate Similarity NPC477931
0.7808 Intermediate Similarity NPC268736
0.7805 Intermediate Similarity NPC163616
0.7805 Intermediate Similarity NPC471036
0.7805 Intermediate Similarity NPC472744
0.7805 Intermediate Similarity NPC291320
0.7805 Intermediate Similarity NPC268578
0.7805 Intermediate Similarity NPC292458
0.7805 Intermediate Similarity NPC217559
0.7791 Intermediate Similarity NPC180849

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC21220 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
0.9286 High Similarity NPD4809 Clinical (unspecified phase)
0.9286 High Similarity NPD4808 Clinical (unspecified phase)
0.9167 High Similarity NPD3703 Phase 2
0.9 High Similarity NPD3699 Clinical (unspecified phase)
0.9 High Similarity NPD3700 Clinical (unspecified phase)
0.8873 High Similarity NPD4789 Approved
0.8873 High Similarity NPD4244 Approved
0.8873 High Similarity NPD4245 Approved
0.8784 High Similarity NPD6117 Approved
0.8767 High Similarity NPD6113 Clinical (unspecified phase)
0.8732 High Similarity NPD3698 Phase 2
0.8696 High Similarity NPD3171 Clinical (unspecified phase)
0.8667 High Similarity NPD6116 Phase 1
0.8592 High Similarity NPD5360 Phase 3
0.8592 High Similarity NPD5361 Clinical (unspecified phase)
0.8553 High Similarity NPD6114 Approved
0.8553 High Similarity NPD6118 Approved
0.8553 High Similarity NPD6697 Approved
0.8553 High Similarity NPD6115 Approved
0.8077 Intermediate Similarity NPD3671 Phase 1
0.8056 Intermediate Similarity NPD4224 Phase 2
0.8 Intermediate Similarity NPD4758 Discontinued
0.8 Intermediate Similarity NPD6081 Approved
0.7882 Intermediate Similarity NPD5328 Approved
0.7831 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD5777 Approved
0.7733 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD6079 Approved
0.7692 Intermediate Similarity NPD3702 Approved
0.7625 Intermediate Similarity NPD5364 Discontinued
0.759 Intermediate Similarity NPD4788 Approved
0.7529 Intermediate Similarity NPD3618 Phase 1
0.75 Intermediate Similarity NPD4786 Approved
0.7403 Intermediate Similarity NPD4787 Phase 1
0.7363 Intermediate Similarity NPD4697 Phase 3
0.7303 Intermediate Similarity NPD8034 Phase 2
0.7303 Intermediate Similarity NPD8035 Phase 2
0.7262 Intermediate Similarity NPD3667 Approved
0.7174 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD5222 Approved
0.7174 Intermediate Similarity NPD5221 Approved
0.7097 Intermediate Similarity NPD4755 Approved
0.7097 Intermediate Similarity NPD5173 Approved
0.7093 Intermediate Similarity NPD3133 Approved
0.7093 Intermediate Similarity NPD3666 Approved
0.7093 Intermediate Similarity NPD3665 Phase 1
0.7033 Intermediate Similarity NPD4202 Approved
0.6947 Remote Similarity NPD4700 Approved
0.6947 Remote Similarity NPD4696 Approved
0.6947 Remote Similarity NPD5285 Approved
0.6947 Remote Similarity NPD5286 Approved
0.6875 Remote Similarity NPD5223 Approved
0.6848 Remote Similarity NPD6399 Phase 3
0.6837 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7525 Registered
0.6804 Remote Similarity NPD4633 Approved
0.6804 Remote Similarity NPD5226 Approved
0.6804 Remote Similarity NPD5211 Phase 2
0.6804 Remote Similarity NPD5225 Approved
0.6804 Remote Similarity NPD5224 Approved
0.6786 Remote Similarity NPD3617 Approved
0.6771 Remote Similarity NPD8418 Phase 2
0.6768 Remote Similarity NPD5739 Approved
0.6768 Remote Similarity NPD6675 Approved
0.6768 Remote Similarity NPD6402 Approved
0.6768 Remote Similarity NPD7128 Approved
0.6757 Remote Similarity NPD3198 Approved
0.6742 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5279 Phase 3
0.6739 Remote Similarity NPD7515 Phase 2
0.6735 Remote Similarity NPD4754 Approved
0.6735 Remote Similarity NPD5174 Approved
0.6735 Remote Similarity NPD5175 Approved
0.6733 Remote Similarity NPD6372 Approved
0.6733 Remote Similarity NPD6373 Approved
0.6703 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD5141 Approved
0.6634 Remote Similarity NPD6881 Approved
0.6634 Remote Similarity NPD7320 Approved
0.6634 Remote Similarity NPD6899 Approved
0.6629 Remote Similarity NPD5329 Approved
0.6628 Remote Similarity NPD6928 Phase 2
0.6602 Remote Similarity NPD6650 Approved
0.6602 Remote Similarity NPD6649 Approved
0.66 Remote Similarity NPD4768 Approved
0.66 Remote Similarity NPD4767 Approved
0.6552 Remote Similarity NPD4692 Approved
0.6552 Remote Similarity NPD4139 Approved
0.6535 Remote Similarity NPD5697 Approved
0.6535 Remote Similarity NPD5701 Approved
0.6526 Remote Similarity NPD4629 Approved
0.6526 Remote Similarity NPD5210 Approved
0.6517 Remote Similarity NPD3668 Phase 3
0.6517 Remote Similarity NPD4197 Approved
0.6505 Remote Similarity NPD7290 Approved
0.6505 Remote Similarity NPD6883 Approved
0.6505 Remote Similarity NPD7102 Approved
0.65 Remote Similarity NPD6705 Phase 1
0.6471 Remote Similarity NPD5128 Approved
0.6471 Remote Similarity NPD4730 Approved
0.6471 Remote Similarity NPD6011 Approved
0.6471 Remote Similarity NPD5168 Approved
0.6471 Remote Similarity NPD4729 Approved
0.6442 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6617 Approved
0.6442 Remote Similarity NPD8130 Phase 1
0.6442 Remote Similarity NPD6869 Approved
0.6442 Remote Similarity NPD6847 Approved
0.6436 Remote Similarity NPD6920 Discontinued
0.6429 Remote Similarity NPD6942 Approved
0.6429 Remote Similarity NPD7339 Approved
0.6421 Remote Similarity NPD7748 Approved
0.6413 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6408 Remote Similarity NPD6012 Approved
0.6408 Remote Similarity NPD6014 Approved
0.6408 Remote Similarity NPD6013 Approved
0.6392 Remote Similarity NPD6084 Phase 2
0.6392 Remote Similarity NPD6083 Phase 2
0.6392 Remote Similarity NPD7902 Approved
0.6381 Remote Similarity NPD8297 Approved
0.6381 Remote Similarity NPD6882 Approved
0.6374 Remote Similarity NPD7146 Approved
0.6374 Remote Similarity NPD4690 Approved
0.6374 Remote Similarity NPD7521 Approved
0.6374 Remote Similarity NPD5330 Approved
0.6374 Remote Similarity NPD4693 Phase 3
0.6374 Remote Similarity NPD4138 Approved
0.6374 Remote Similarity NPD6684 Approved
0.6374 Remote Similarity NPD5205 Approved
0.6374 Remote Similarity NPD4688 Approved
0.6374 Remote Similarity NPD7334 Approved
0.6374 Remote Similarity NPD4689 Approved
0.6374 Remote Similarity NPD6409 Approved
0.6346 Remote Similarity NPD5249 Phase 3
0.6346 Remote Similarity NPD5248 Approved
0.6346 Remote Similarity NPD5247 Approved
0.6346 Remote Similarity NPD5250 Approved
0.6346 Remote Similarity NPD5251 Approved
0.6346 Remote Similarity NPD4634 Approved
0.6346 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6346 Remote Similarity NPD5169 Approved
0.6346 Remote Similarity NPD5135 Approved
0.6327 Remote Similarity NPD7638 Approved
0.6311 Remote Similarity NPD6415 Discontinued
0.6301 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6301 Remote Similarity NPD615 Clinical (unspecified phase)
0.6286 Remote Similarity NPD5215 Approved
0.6286 Remote Similarity NPD5216 Approved
0.6286 Remote Similarity NPD5127 Approved
0.6286 Remote Similarity NPD5217 Approved
0.6263 Remote Similarity NPD7639 Approved
0.6263 Remote Similarity NPD7640 Approved
0.6237 Remote Similarity NPD6903 Approved
0.6237 Remote Similarity NPD6672 Approved
0.6237 Remote Similarity NPD5737 Approved
0.6232 Remote Similarity NPD384 Approved
0.6232 Remote Similarity NPD385 Approved
0.6204 Remote Similarity NPD6868 Approved
0.6196 Remote Similarity NPD5690 Phase 2
0.6196 Remote Similarity NPD4694 Approved
0.6196 Remote Similarity NPD5280 Approved
0.6186 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6168 Remote Similarity NPD8298 Phase 2
0.6168 Remote Similarity NPD4632 Approved
0.6163 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6162 Remote Similarity NPD5696 Approved
0.6154 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6139 Remote Similarity NPD7632 Discontinued
0.6136 Remote Similarity NPD7645 Phase 2
0.6118 Remote Similarity NPD6926 Approved
0.6118 Remote Similarity NPD6924 Approved
0.6117 Remote Similarity NPD6008 Approved
0.6111 Remote Similarity NPD5167 Approved
0.6105 Remote Similarity NPD6700 Approved
0.6105 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6091 Remote Similarity NPD6335 Approved
0.6082 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6082 Remote Similarity NPD7900 Approved
0.6067 Remote Similarity NPD4748 Discontinued
0.6055 Remote Similarity NPD6274 Approved
0.6042 Remote Similarity NPD5284 Approved
0.6042 Remote Similarity NPD6702 Approved
0.6042 Remote Similarity NPD6703 Approved
0.6042 Remote Similarity NPD5281 Approved
0.604 Remote Similarity NPD1700 Approved
0.6036 Remote Similarity NPD7100 Approved
0.6036 Remote Similarity NPD7101 Approved
0.6023 Remote Similarity NPD4776 Phase 2
0.6023 Remote Similarity NPD4777 Suspended
0.6023 Remote Similarity NPD4238 Approved
0.6023 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6023 Remote Similarity NPD4802 Phase 2
0.6022 Remote Similarity NPD6098 Approved
0.602 Remote Similarity NPD5695 Phase 3
0.6 Remote Similarity NPD7115 Discovery
0.6 Remote Similarity NPD6009 Approved
0.6 Remote Similarity NPD7909 Approved
0.6 Remote Similarity NPD6317 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426503
ZINC  

Physicochemical Properties

Molecular Weight:  304.24
ALogP:  0.5006
MLogP:  3.44
XLogP:  5.052
# Rotatable Bonds:  5
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

Download Data

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