Natural Product: NPC271163

Natural Product ID:  NPC271163
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H30O6
Standard InCHIKey:  NZNMCSYRDNCBPL-BNAOJXJXSA-N
Standard InCHI:  InChI=1S/C24H30O6/c1-12(25)13-9-16(27)22(6)21(13,5)11-18(29)23-20(4)8-7-15(26)19(2,3)14(20)10-17(28)24(22,23)30-23/h13-14H,7-11H2,1-6H3/t13-,14+,20+,21-,22-,23+,24+/m1/s1
Canonical SMILES:  CC(=O)[C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)[C@]13[C@]2(O1)C(=O)C[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
NPO33360 ganoderma concinna Species Ganodermataceae Eukaryota PMID[11908995]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens Activity = 12 % 23145884

  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 NPC271163 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
0.8152 Intermediate Similarity NPC476294
0.7955 Intermediate Similarity NPC90676
0.7901 Intermediate Similarity NPC72444
0.7778 Intermediate Similarity NPC476296
0.759 Intermediate Similarity NPC471046
0.7586 Intermediate Similarity NPC472847
0.7556 Intermediate Similarity NPC477614
0.7556 Intermediate Similarity NPC226491
0.7529 Intermediate Similarity NPC275243
0.7528 Intermediate Similarity NPC120395
0.75 Intermediate Similarity NPC475689
0.7473 Intermediate Similarity NPC61688
0.7471 Intermediate Similarity NPC13494
0.7471 Intermediate Similarity NPC328007
0.7447 Intermediate Similarity NPC62407
0.7447 Intermediate Similarity NPC287354
0.7439 Intermediate Similarity NPC474123
0.7419 Intermediate Similarity NPC474379
0.7419 Intermediate Similarity NPC228700
0.7386 Intermediate Similarity NPC327451
0.7381 Intermediate Similarity NPC472487
0.7381 Intermediate Similarity NPC472486
0.7368 Intermediate Similarity NPC477264
0.7349 Intermediate Similarity NPC133922
0.734 Intermediate Similarity NPC247877
0.734 Intermediate Similarity NPC309127
0.7317 Intermediate Similarity NPC197701
0.7317 Intermediate Similarity NPC472309
0.7303 Intermediate Similarity NPC319909
0.7303 Intermediate Similarity NPC474996
0.7303 Intermediate Similarity NPC50438
0.7294 Intermediate Similarity NPC471151
0.7283 Intermediate Similarity NPC11611
0.7263 Intermediate Similarity NPC470031
0.7262 Intermediate Similarity NPC125767
0.7262 Intermediate Similarity NPC21220
0.7216 Intermediate Similarity NPC109059
0.7216 Intermediate Similarity NPC288
0.7174 Intermediate Similarity NPC236459
0.7158 Intermediate Similarity NPC477495
0.7143 Intermediate Similarity NPC80700
0.7143 Intermediate Similarity NPC254340
0.7143 Intermediate Similarity NPC248216
0.7143 Intermediate Similarity NPC476727
0.7143 Intermediate Similarity NPC477441
0.7143 Intermediate Similarity NPC476726
0.7126 Intermediate Similarity NPC320144
0.7125 Intermediate Similarity NPC84562
0.7111 Intermediate Similarity NPC105895
0.7111 Intermediate Similarity NPC181871
0.7111 Intermediate Similarity NPC9060
0.7111 Intermediate Similarity NPC471044
0.7111 Intermediate Similarity NPC473336
0.7108 Intermediate Similarity NPC473267
0.7108 Intermediate Similarity NPC311102
0.7108 Intermediate Similarity NPC89310
0.7093 Intermediate Similarity NPC221420
0.7093 Intermediate Similarity NPC475031
0.7093 Intermediate Similarity NPC23884
0.7093 Intermediate Similarity NPC477918
0.7083 Intermediate Similarity NPC17336
0.7079 Intermediate Similarity NPC289486
0.7079 Intermediate Similarity NPC317066
0.7079 Intermediate Similarity NPC61107
0.7079 Intermediate Similarity NPC30583
0.7073 Intermediate Similarity NPC196197
0.7065 Intermediate Similarity NPC263802
0.7059 Intermediate Similarity NPC472311
0.7059 Intermediate Similarity NPC273366
0.7059 Intermediate Similarity NPC159789
0.7053 Intermediate Similarity NPC472148
0.7053 Intermediate Similarity NPC472147
0.7053 Intermediate Similarity NPC476189
0.7045 Intermediate Similarity NPC1882
0.7033 Intermediate Similarity NPC473350
0.7033 Intermediate Similarity NPC474572
0.7024 Intermediate Similarity NPC232112
0.7024 Intermediate Similarity NPC248567
0.7011 Intermediate Similarity NPC475725
0.7011 Intermediate Similarity NPC478128
0.7011 Intermediate Similarity NPC185465
0.6977 Remote Similarity NPC475742
0.6977 Remote Similarity NPC5767
0.697 Remote Similarity NPC156324
0.697 Remote Similarity NPC55503
0.6966 Remote Similarity NPC58631
0.6966 Remote Similarity NPC50658
0.6957 Remote Similarity NPC302111
0.6951 Remote Similarity NPC470956
0.6951 Remote Similarity NPC473225
0.6947 Remote Similarity NPC216137
0.6939 Remote Similarity NPC190080
0.6939 Remote Similarity NPC111187
0.6939 Remote Similarity NPC216904
0.6932 Remote Similarity NPC472310
0.6931 Remote Similarity NPC266
0.6923 Remote Similarity NPC321661
0.6923 Remote Similarity NPC320475
0.6923 Remote Similarity NPC25037
0.6923 Remote Similarity NPC34984
0.6915 Remote Similarity NPC471459
0.6915 Remote Similarity NPC67653
0.6915 Remote Similarity NPC200580
0.6915 Remote Similarity NPC24705
0.6915 Remote Similarity NPC56962
0.6907 Remote Similarity NPC266431
0.6905 Remote Similarity NPC156277
0.6905 Remote Similarity NPC320549
0.6905 Remote Similarity NPC126642
0.6905 Remote Similarity NPC58057
0.6905 Remote Similarity NPC151018
0.69 Remote Similarity NPC60947
0.6897 Remote Similarity NPC474404
0.6889 Remote Similarity NPC268040
0.6882 Remote Similarity NPC202937
0.6875 Remote Similarity NPC128608
0.6869 Remote Similarity NPC112753
0.6869 Remote Similarity NPC275439
0.6867 Remote Similarity NPC131892
0.6867 Remote Similarity NPC327728
0.6867 Remote Similarity NPC6120
0.6867 Remote Similarity NPC213178
0.686 Remote Similarity NPC174964
0.686 Remote Similarity NPC97534
0.686 Remote Similarity NPC195155
0.686 Remote Similarity NPC477934
0.6854 Remote Similarity NPC477851
0.6854 Remote Similarity NPC125366
0.6854 Remote Similarity NPC261616
0.6848 Remote Similarity NPC62572
0.6848 Remote Similarity NPC224345
0.6842 Remote Similarity NPC477442
0.6842 Remote Similarity NPC477433
0.6842 Remote Similarity NPC477444
0.6837 Remote Similarity NPC476728
0.6837 Remote Similarity NPC140242
0.6837 Remote Similarity NPC165616
0.6829 Remote Similarity NPC328304
0.6829 Remote Similarity NPC329466
0.6827 Remote Similarity NPC316930
0.6824 Remote Similarity NPC474755
0.6824 Remote Similarity NPC109510
0.6813 Remote Similarity NPC15821
0.6813 Remote Similarity NPC268578
0.6813 Remote Similarity NPC292458
0.6813 Remote Similarity NPC217559
0.6809 Remote Similarity NPC131104
0.6809 Remote Similarity NPC3032
0.6809 Remote Similarity NPC473319
0.6786 Remote Similarity NPC476731
0.6782 Remote Similarity NPC477933
0.6782 Remote Similarity NPC4209
0.6782 Remote Similarity NPC477932
0.6778 Remote Similarity NPC472229
0.6778 Remote Similarity NPC472230
0.6778 Remote Similarity NPC469745
0.6778 Remote Similarity NPC12933
0.6774 Remote Similarity NPC92139
0.6774 Remote Similarity NPC471042
0.6771 Remote Similarity NPC250753
0.6771 Remote Similarity NPC327515
0.6771 Remote Similarity NPC52756
0.6771 Remote Similarity NPC470230
0.6768 Remote Similarity NPC23680
0.6768 Remote Similarity NPC470632
0.6765 Remote Similarity NPC70967
0.6765 Remote Similarity NPC33973
0.6765 Remote Similarity NPC216114
0.6747 Remote Similarity NPC475977
0.6744 Remote Similarity NPC55508
0.6744 Remote Similarity NPC272359
0.6742 Remote Similarity NPC73013
0.6742 Remote Similarity NPC80891
0.6742 Remote Similarity NPC52951
0.6742 Remote Similarity NPC201276
0.6739 Remote Similarity NPC219535
0.6739 Remote Similarity NPC477434
0.6739 Remote Similarity NPC237938
0.6737 Remote Similarity NPC477443
0.6737 Remote Similarity NPC477440
0.6737 Remote Similarity NPC472234
0.6737 Remote Similarity NPC472233
0.6737 Remote Similarity NPC473039
0.6735 Remote Similarity NPC305808
0.6733 Remote Similarity NPC124211
0.6731 Remote Similarity NPC176949
0.6731 Remote Similarity NPC201908
0.6707 Remote Similarity NPC268736
0.6707 Remote Similarity NPC477931
0.6706 Remote Similarity NPC469940
0.6705 Remote Similarity NPC207010
0.6705 Remote Similarity NPC264602
0.6705 Remote Similarity NPC317913
0.6705 Remote Similarity NPC169389
0.6705 Remote Similarity NPC143250
0.6703 Remote Similarity NPC476935
0.6703 Remote Similarity NPC477936
0.6703 Remote Similarity NPC477935
0.6703 Remote Similarity NPC258153
0.6703 Remote Similarity NPC476458

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC271163 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
0.7375 Intermediate Similarity NPD5360 Phase 3
0.7375 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD4758 Discontinued
0.7108 Intermediate Similarity NPD6081 Approved
0.7059 Intermediate Similarity NPD3703 Phase 2
0.6988 Remote Similarity NPD4789 Approved
0.6905 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5364 Discontinued
0.6782 Remote Similarity NPD6117 Approved
0.6707 Remote Similarity NPD4224 Phase 2
0.6706 Remote Similarity NPD5777 Approved
0.6705 Remote Similarity NPD6116 Phase 1
0.6667 Remote Similarity NPD3702 Approved
0.6629 Remote Similarity NPD6114 Approved
0.6629 Remote Similarity NPD6115 Approved
0.6629 Remote Similarity NPD6118 Approved
0.6629 Remote Similarity NPD6697 Approved
0.6585 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6569 Remote Similarity NPD1700 Approved
0.6552 Remote Similarity NPD6113 Clinical (unspecified phase)
0.65 Remote Similarity NPD4697 Phase 3
0.6471 Remote Similarity NPD3698 Phase 2
0.6449 Remote Similarity NPD6372 Approved
0.6449 Remote Similarity NPD6373 Approved
0.6429 Remote Similarity NPD8035 Phase 2
0.6429 Remote Similarity NPD8034 Phase 2
0.6421 Remote Similarity NPD6098 Approved
0.6421 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4244 Approved
0.6395 Remote Similarity NPD4245 Approved
0.6392 Remote Similarity NPD6904 Approved
0.6392 Remote Similarity NPD6673 Approved
0.6392 Remote Similarity NPD6080 Approved
0.6373 Remote Similarity NPD5696 Approved
0.633 Remote Similarity NPD6649 Approved
0.633 Remote Similarity NPD6650 Approved
0.6321 Remote Similarity NPD7128 Approved
0.6321 Remote Similarity NPD5739 Approved
0.6321 Remote Similarity NPD6402 Approved
0.6321 Remote Similarity NPD6008 Approved
0.6321 Remote Similarity NPD6675 Approved
0.6289 Remote Similarity NPD6672 Approved
0.6289 Remote Similarity NPD5737 Approved
0.6275 Remote Similarity NPD4755 Approved
0.6264 Remote Similarity NPD3671 Phase 1
0.6263 Remote Similarity NPD5693 Phase 1
0.6262 Remote Similarity NPD5701 Approved
0.6262 Remote Similarity NPD5697 Approved
0.6238 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6204 Remote Similarity NPD6881 Approved
0.6204 Remote Similarity NPD7320 Approved
0.6204 Remote Similarity NPD6899 Approved
0.6204 Remote Similarity NPD6011 Approved
0.6176 Remote Similarity NPD5221 Approved
0.6176 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6176 Remote Similarity NPD5222 Approved
0.6162 Remote Similarity NPD5692 Phase 3
0.6154 Remote Similarity NPD4696 Approved
0.6154 Remote Similarity NPD5285 Approved
0.6154 Remote Similarity NPD5286 Approved
0.6154 Remote Similarity NPD4700 Approved
0.6147 Remote Similarity NPD6012 Approved
0.6147 Remote Similarity NPD6013 Approved
0.6147 Remote Similarity NPD6014 Approved
0.6139 Remote Similarity NPD6001 Approved
0.6117 Remote Similarity NPD5173 Approved
0.61 Remote Similarity NPD6050 Approved
0.61 Remote Similarity NPD5694 Approved
0.6095 Remote Similarity NPD5223 Approved
0.6092 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6091 Remote Similarity NPD7102 Approved
0.6091 Remote Similarity NPD7290 Approved
0.6091 Remote Similarity NPD6883 Approved
0.6087 Remote Similarity NPD3617 Approved
0.6078 Remote Similarity NPD5210 Approved
0.6078 Remote Similarity NPD4629 Approved
0.6061 Remote Similarity NPD5328 Approved
0.6042 Remote Similarity NPD4197 Approved
0.604 Remote Similarity NPD6399 Phase 3
0.6038 Remote Similarity NPD5211 Phase 2
0.6038 Remote Similarity NPD5224 Approved
0.6038 Remote Similarity NPD5226 Approved
0.6038 Remote Similarity NPD4633 Approved
0.6038 Remote Similarity NPD5225 Approved
0.6036 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6847 Approved
0.6036 Remote Similarity NPD8130 Phase 1
0.6036 Remote Similarity NPD6869 Approved
0.6036 Remote Similarity NPD6617 Approved
0.602 Remote Similarity NPD3573 Approved
0.5982 Remote Similarity NPD6882 Approved
0.5982 Remote Similarity NPD8297 Approved
0.5981 Remote Similarity NPD4754 Approved
0.5981 Remote Similarity NPD5174 Approved
0.5981 Remote Similarity NPD5175 Approved
0.5979 Remote Similarity NPD5329 Approved
0.5979 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5963 Remote Similarity NPD6614 Approved
0.5962 Remote Similarity NPD6084 Phase 2
0.5962 Remote Similarity NPD6083 Phase 2
0.5962 Remote Similarity NPD5959 Approved
0.5946 Remote Similarity NPD4634 Approved
0.5941 Remote Similarity NPD6079 Approved
0.5938 Remote Similarity NPD4788 Approved
0.5926 Remote Similarity NPD5141 Approved
0.5922 Remote Similarity NPD5654 Approved
0.5922 Remote Similarity NPD5695 Phase 3
0.5918 Remote Similarity NPD3618 Phase 1
0.5909 Remote Similarity NPD5345 Clinical (unspecified phase)
0.59 Remote Similarity NPD4753 Phase 2
0.5897 Remote Similarity NPD6319 Approved
0.5897 Remote Similarity NPD6059 Approved
0.5897 Remote Similarity NPD6054 Approved
0.5872 Remote Similarity NPD6920 Discontinued
0.5872 Remote Similarity NPD4767 Approved
0.5872 Remote Similarity NPD4768 Approved
0.5847 Remote Similarity NPD6016 Approved
0.5847 Remote Similarity NPD6015 Approved
0.5833 Remote Similarity NPD4221 Approved
0.5833 Remote Similarity NPD4223 Phase 3
0.5826 Remote Similarity NPD6274 Approved
0.5825 Remote Similarity NPD7900 Approved
0.5825 Remote Similarity NPD7901 Clinical (unspecified phase)
0.58 Remote Similarity NPD5208 Approved
0.5798 Remote Similarity NPD6370 Approved
0.5798 Remote Similarity NPD5988 Approved
0.578 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5776 Remote Similarity NPD6317 Approved
0.5776 Remote Similarity NPD7115 Discovery
0.5766 Remote Similarity NPD5128 Approved
0.5766 Remote Similarity NPD4730 Approved
0.5766 Remote Similarity NPD4729 Approved
0.5758 Remote Similarity NPD4694 Approved
0.5758 Remote Similarity NPD5280 Approved
0.5758 Remote Similarity NPD5690 Phase 2
0.5741 Remote Similarity NPD5091 Approved
0.5729 Remote Similarity NPD4139 Approved
0.5729 Remote Similarity NPD4692 Approved
0.5728 Remote Similarity NPD4202 Approved
0.5726 Remote Similarity NPD6313 Approved
0.5726 Remote Similarity NPD6314 Approved
0.5726 Remote Similarity NPD6335 Approved
0.5714 Remote Similarity NPD3668 Phase 3
0.5714 Remote Similarity NPD4786 Approved
0.5702 Remote Similarity NPD7492 Approved
0.5691 Remote Similarity NPD7736 Approved
0.569 Remote Similarity NPD6868 Approved
0.5686 Remote Similarity NPD5207 Approved
0.5678 Remote Similarity NPD7101 Approved
0.5678 Remote Similarity NPD7100 Approved
0.567 Remote Similarity NPD3667 Approved
0.5667 Remote Similarity NPD4787 Phase 1
0.5664 Remote Similarity NPD5251 Approved
0.5664 Remote Similarity NPD5169 Approved
0.5664 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5664 Remote Similarity NPD5248 Approved
0.5664 Remote Similarity NPD5249 Phase 3
0.5664 Remote Similarity NPD5247 Approved
0.5664 Remote Similarity NPD5135 Approved
0.5664 Remote Similarity NPD5250 Approved
0.566 Remote Similarity NPD7902 Approved
0.5656 Remote Similarity NPD6616 Approved
0.5652 Remote Similarity NPD4632 Approved
0.5644 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5641 Remote Similarity NPD6009 Approved
0.5625 Remote Similarity NPD5168 Approved
0.562 Remote Similarity NPD7604 Phase 2
0.5618 Remote Similarity NPD229 Approved
0.5614 Remote Similarity NPD5216 Approved
0.5614 Remote Similarity NPD5215 Approved
0.5614 Remote Similarity NPD5127 Approved
0.5614 Remote Similarity NPD5217 Approved
0.561 Remote Similarity NPD8293 Discontinued
0.561 Remote Similarity NPD7078 Approved
0.56 Remote Similarity NPD7521 Approved
0.56 Remote Similarity NPD4688 Approved
0.56 Remote Similarity NPD5330 Approved
0.56 Remote Similarity NPD4690 Approved
0.56 Remote Similarity NPD4689 Approved
0.56 Remote Similarity NPD4693 Phase 3
0.56 Remote Similarity NPD4138 Approved
0.56 Remote Similarity NPD5205 Approved
0.56 Remote Similarity NPD6684 Approved
0.56 Remote Similarity NPD7146 Approved
0.56 Remote Similarity NPD6409 Approved
0.56 Remote Similarity NPD7334 Approved

Structure

External Identifiers

PubChem CID   636904
ChEMBL   CHEMBL461271
ZINC  

Physicochemical Properties

Molecular Weight:  414.20
ALogP:  -0.3762
MLogP:  3.44
XLogP:  -0.931
# Rotatable Bonds:  7
Polar Surface Area:  97.88
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  30

Download Data

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