Natural Product: NPC263135

Natural Product ID:  NPC263135
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C31H50O5
Standard InCHIKey:  AVNXWYPJFUFAOZ-OHNZCQHASA-N
Standard InCHI:  InChI=1S/C31H50O5/c1-17(2)18(3)8-9-19(4)20-10-11-28(6)25-21(32)14-22-29(7,26(35)36)23(33)15-24(34)31(22)16-30(25,31)13-12-27(20,28)5/h17,19-25,32-34H,3,8-16H2,1-2,4-7H3,(H,35,36)/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30+,31-/m1/s1
Canonical SMILES:  C=C(C(C)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2[C@@H](O)C[C@@H]2[C@]3(C1)[C@@H](O)C[C@@H]([C@@]2(C)C(=O)O)O)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
NPO30384 Combretum quadrangulare Species Combretaceae Eukaryota PMID[10650080]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified ED50 = 37.3 ug/ml 23822611

  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 NPC263135 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 NPC288906
0.9667 High Similarity NPC234564
0.9565 High Similarity NPC180733
0.9565 High Similarity NPC94906
0.9565 High Similarity NPC37047
0.9565 High Similarity NPC41971
0.9462 High Similarity NPC71706
0.9457 High Similarity NPC472028
0.9362 High Similarity NPC124544
0.9362 High Similarity NPC193934
0.9362 High Similarity NPC271980
0.9341 High Similarity NPC266431
0.9318 High Similarity NPC146937
0.9263 High Similarity NPC312900
0.9255 High Similarity NPC75941
0.9091 High Similarity NPC302111
0.9011 High Similarity NPC211403
0.9011 High Similarity NPC198242
0.9 High Similarity NPC57954
0.9 High Similarity NPC213832
0.8969 High Similarity NPC201763
0.8936 High Similarity NPC469810
0.8913 High Similarity NPC244356
0.8913 High Similarity NPC224060
0.8889 High Similarity NPC471900
0.8854 High Similarity NPC46848
0.883 High Similarity NPC329910
0.8817 High Similarity NPC470386
0.8817 High Similarity NPC470385
0.8791 High Similarity NPC56962
0.8791 High Similarity NPC24705
0.8788 High Similarity NPC263729
0.8778 High Similarity NPC269360
0.8778 High Similarity NPC264005
0.8763 High Similarity NPC214946
0.8763 High Similarity NPC275990
0.8763 High Similarity NPC246736
0.8763 High Similarity NPC304832
0.8763 High Similarity NPC148628
0.8763 High Similarity NPC286519
0.8763 High Similarity NPC88203
0.8763 High Similarity NPC76866
0.8737 High Similarity NPC253586
0.8737 High Similarity NPC170978
0.8723 High Similarity NPC470232
0.8723 High Similarity NPC470229
0.871 High Similarity NPC471902
0.871 High Similarity NPC287118
0.871 High Similarity NPC473690
0.871 High Similarity NPC477855
0.87 High Similarity NPC163216
0.8696 High Similarity NPC169933
0.8673 High Similarity NPC470310
0.8667 High Similarity NPC2783
0.866 High Similarity NPC289148
0.866 High Similarity NPC163963
0.866 High Similarity NPC52899
0.8646 High Similarity NPC38471
0.8646 High Similarity NPC471038
0.8646 High Similarity NPC98837
0.8646 High Similarity NPC20479
0.8646 High Similarity NPC474793
0.8646 High Similarity NPC162459
0.8646 High Similarity NPC28864
0.8646 High Similarity NPC38296
0.8632 High Similarity NPC327788
0.8632 High Similarity NPC470387
0.8627 High Similarity NPC270586
0.8617 High Similarity NPC111524
0.8617 High Similarity NPC153775
0.8617 High Similarity NPC261333
0.8617 High Similarity NPC215271
0.8617 High Similarity NPC475118
0.8617 High Similarity NPC292374
0.8617 High Similarity NPC47853
0.8617 High Similarity NPC129004
0.8617 High Similarity NPC91772
0.8617 High Similarity NPC277399
0.8617 High Similarity NPC29247
0.8617 High Similarity NPC104371
0.8617 High Similarity NPC101233
0.8617 High Similarity NPC289539
0.8614 High Similarity NPC257082
0.8614 High Similarity NPC285298
0.8602 High Similarity NPC475416
0.8602 High Similarity NPC471901
0.8571 High Similarity NPC57469
0.8571 High Similarity NPC134197
0.8571 High Similarity NPC33768
0.8571 High Similarity NPC259009
0.8557 High Similarity NPC287676
0.8557 High Similarity NPC293866
0.8557 High Similarity NPC108371
0.8556 High Similarity NPC294438
0.8556 High Similarity NPC264317
0.8542 High Similarity NPC10864
0.8542 High Similarity NPC111187
0.8542 High Similarity NPC190080
0.8526 High Similarity NPC98639
0.8526 High Similarity NPC205173
0.8515 High Similarity NPC211224
0.8511 High Similarity NPC291373
0.8511 High Similarity NPC181594
0.8511 High Similarity NPC144739
0.8511 High Similarity NPC294263
0.85 High Similarity NPC295366
0.85 High Similarity NPC265127
0.85 High Similarity NPC138908
0.85 High Similarity NPC37600
0.85 High Similarity NPC200957
0.8495 Intermediate Similarity NPC46758
0.8495 Intermediate Similarity NPC80401
0.8485 Intermediate Similarity NPC87927
0.8478 Intermediate Similarity NPC183374
0.8478 Intermediate Similarity NPC16377
0.8478 Intermediate Similarity NPC211162
0.8478 Intermediate Similarity NPC474719
0.8469 Intermediate Similarity NPC236585
0.8469 Intermediate Similarity NPC253886
0.8469 Intermediate Similarity NPC121218
0.8469 Intermediate Similarity NPC471790
0.8462 Intermediate Similarity NPC12774
0.8462 Intermediate Similarity NPC70661
0.8454 Intermediate Similarity NPC119036
0.8454 Intermediate Similarity NPC16911
0.8454 Intermediate Similarity NPC89099
0.8454 Intermediate Similarity NPC78427
0.8438 Intermediate Similarity NPC264979
0.8438 Intermediate Similarity NPC135548
0.8438 Intermediate Similarity NPC13949
0.8438 Intermediate Similarity NPC29410
0.8438 Intermediate Similarity NPC200054
0.8421 Intermediate Similarity NPC469982
0.8416 Intermediate Similarity NPC166993
0.8416 Intermediate Similarity NPC201908
0.8416 Intermediate Similarity NPC176949
0.8409 Intermediate Similarity NPC477851
0.8404 Intermediate Similarity NPC299185
0.8404 Intermediate Similarity NPC470230
0.8404 Intermediate Similarity NPC476168
0.8404 Intermediate Similarity NPC250753
0.84 Intermediate Similarity NPC84928
0.84 Intermediate Similarity NPC98603
0.8387 Intermediate Similarity NPC474704
0.8387 Intermediate Similarity NPC220498
0.8387 Intermediate Similarity NPC475921
0.8384 Intermediate Similarity NPC170615
0.837 Intermediate Similarity NPC153604
0.8367 Intermediate Similarity NPC470388
0.8352 Intermediate Similarity NPC76518
0.8352 Intermediate Similarity NPC190704
0.8352 Intermediate Similarity NPC471034
0.8352 Intermediate Similarity NPC201655
0.8333 Intermediate Similarity NPC273155
0.8333 Intermediate Similarity NPC279974
0.8333 Intermediate Similarity NPC112895
0.8333 Intermediate Similarity NPC138245
0.8333 Intermediate Similarity NPC231060
0.8333 Intermediate Similarity NPC471037
0.8333 Intermediate Similarity NPC231278
0.8333 Intermediate Similarity NPC48330
0.8333 Intermediate Similarity NPC218123
0.8333 Intermediate Similarity NPC210214
0.8333 Intermediate Similarity NPC84018
0.83 Intermediate Similarity NPC122811
0.83 Intermediate Similarity NPC139347
0.83 Intermediate Similarity NPC277074
0.83 Intermediate Similarity NPC469985
0.83 Intermediate Similarity NPC209298
0.83 Intermediate Similarity NPC216114
0.8298 Intermediate Similarity NPC149761
0.8298 Intermediate Similarity NPC180849
0.8298 Intermediate Similarity NPC470378
0.8298 Intermediate Similarity NPC261994
0.8298 Intermediate Similarity NPC10274
0.8283 Intermediate Similarity NPC295276
0.828 Intermediate Similarity NPC4309
0.8269 Intermediate Similarity NPC470281
0.8261 Intermediate Similarity NPC80590
0.8247 Intermediate Similarity NPC173272
0.8247 Intermediate Similarity NPC140242
0.8242 Intermediate Similarity NPC50438
0.8242 Intermediate Similarity NPC299963
0.8229 Intermediate Similarity NPC302008
0.8229 Intermediate Similarity NPC191094
0.8229 Intermediate Similarity NPC303863
0.8218 Intermediate Similarity NPC47281
0.8218 Intermediate Similarity NPC301787
0.8202 Intermediate Similarity NPC164999
0.8191 Intermediate Similarity NPC128496
0.8191 Intermediate Similarity NPC271974
0.8191 Intermediate Similarity NPC116146
0.8191 Intermediate Similarity NPC247312
0.8191 Intermediate Similarity NPC24772
0.8191 Intermediate Similarity NPC471043
0.819 Intermediate Similarity NPC476964
0.8182 Intermediate Similarity NPC171426
0.8182 Intermediate Similarity NPC127408
0.8182 Intermediate Similarity NPC224802
0.8182 Intermediate Similarity NPC34046

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC263135 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
0.8556 High Similarity NPD7520 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD6114 Approved
0.8182 Intermediate Similarity NPD6115 Approved
0.8182 Intermediate Similarity NPD6697 Approved
0.8182 Intermediate Similarity NPD6118 Approved
0.8021 Intermediate Similarity NPD8035 Phase 2
0.8021 Intermediate Similarity NPD8034 Phase 2
0.7955 Intermediate Similarity NPD6117 Approved
0.7865 Intermediate Similarity NPD6116 Phase 1
0.7812 Intermediate Similarity NPD5328 Approved
0.7727 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7653 Intermediate Similarity NPD6079 Approved
0.764 Intermediate Similarity NPD3703 Phase 2
0.7619 Intermediate Similarity NPD6675 Approved
0.7619 Intermediate Similarity NPD6402 Approved
0.7619 Intermediate Similarity NPD7128 Approved
0.7619 Intermediate Similarity NPD5739 Approved
0.7549 Intermediate Similarity NPD7638 Approved
0.7477 Intermediate Similarity NPD6881 Approved
0.7477 Intermediate Similarity NPD6899 Approved
0.7477 Intermediate Similarity NPD7320 Approved
0.7476 Intermediate Similarity NPD7640 Approved
0.7476 Intermediate Similarity NPD7639 Approved
0.7475 Intermediate Similarity NPD7515 Phase 2
0.7474 Intermediate Similarity NPD4786 Approved
0.7451 Intermediate Similarity NPD4755 Approved
0.7407 Intermediate Similarity NPD6372 Approved
0.7407 Intermediate Similarity NPD6373 Approved
0.74 Intermediate Similarity NPD6399 Phase 3
0.7383 Intermediate Similarity NPD5701 Approved
0.7383 Intermediate Similarity NPD5697 Approved
0.7368 Intermediate Similarity NPD4788 Approved
0.7353 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD4697 Phase 3
0.7353 Intermediate Similarity NPD5222 Approved
0.7353 Intermediate Similarity NPD5221 Approved
0.7339 Intermediate Similarity NPD7290 Approved
0.7339 Intermediate Similarity NPD4634 Approved
0.7339 Intermediate Similarity NPD7102 Approved
0.7339 Intermediate Similarity NPD6883 Approved
0.732 Intermediate Similarity NPD3618 Phase 1
0.7315 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD4700 Approved
0.7308 Intermediate Similarity NPD4696 Approved
0.7308 Intermediate Similarity NPD5285 Approved
0.7308 Intermediate Similarity NPD5286 Approved
0.7303 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD5173 Approved
0.7273 Intermediate Similarity NPD6650 Approved
0.7273 Intermediate Similarity NPD6617 Approved
0.7273 Intermediate Similarity NPD6869 Approved
0.7273 Intermediate Similarity NPD6649 Approved
0.7273 Intermediate Similarity NPD6847 Approved
0.7273 Intermediate Similarity NPD8130 Phase 1
0.7263 Intermediate Similarity NPD3667 Approved
0.7248 Intermediate Similarity NPD6014 Approved
0.7248 Intermediate Similarity NPD6012 Approved
0.7248 Intermediate Similarity NPD6013 Approved
0.7234 Intermediate Similarity NPD7525 Registered
0.7217 Intermediate Similarity NPD6319 Approved
0.7207 Intermediate Similarity NPD6882 Approved
0.7207 Intermediate Similarity NPD8297 Approved
0.717 Intermediate Similarity NPD5225 Approved
0.717 Intermediate Similarity NPD4633 Approved
0.717 Intermediate Similarity NPD5226 Approved
0.717 Intermediate Similarity NPD5211 Phase 2
0.717 Intermediate Similarity NPD5224 Approved
0.7167 Intermediate Similarity NPD7319 Approved
0.7157 Intermediate Similarity NPD7748 Approved
0.7156 Intermediate Similarity NPD6011 Approved
0.7143 Intermediate Similarity NPD4632 Approved
0.713 Intermediate Similarity NPD6008 Approved
0.7129 Intermediate Similarity NPD7637 Suspended
0.7129 Intermediate Similarity NPD6411 Approved
0.7119 Intermediate Similarity NPD7492 Approved
0.7117 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6083 Phase 2
0.7115 Intermediate Similarity NPD6084 Phase 2
0.7105 Intermediate Similarity NPD7115 Discovery
0.7103 Intermediate Similarity NPD5174 Approved
0.7103 Intermediate Similarity NPD5175 Approved
0.7083 Intermediate Similarity NPD7736 Approved
0.7079 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5223 Approved
0.7069 Intermediate Similarity NPD6059 Approved
0.7069 Intermediate Similarity NPD6054 Approved
0.7059 Intermediate Similarity NPD4202 Approved
0.7059 Intermediate Similarity NPD6616 Approved
0.7037 Intermediate Similarity NPD5141 Approved
0.7034 Intermediate Similarity NPD7604 Phase 2
0.7009 Intermediate Similarity NPD7632 Discontinued
0.7 Intermediate Similarity NPD7078 Approved
0.7 Intermediate Similarity NPD8293 Discontinued
0.6991 Remote Similarity NPD8133 Approved
0.6972 Remote Similarity NPD4768 Approved
0.6972 Remote Similarity NPD4767 Approved
0.6957 Remote Similarity NPD6009 Approved
0.6952 Remote Similarity NPD7902 Approved
0.6949 Remote Similarity NPD6370 Approved
0.6944 Remote Similarity NPD4754 Approved
0.6939 Remote Similarity NPD3133 Approved
0.6939 Remote Similarity NPD3666 Approved
0.6939 Remote Similarity NPD3665 Phase 1
0.6931 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6101 Approved
0.6931 Remote Similarity NPD4753 Phase 2
0.6923 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6081 Approved
0.6917 Remote Similarity NPD7507 Approved
0.6893 Remote Similarity NPD5779 Approved
0.6893 Remote Similarity NPD5778 Approved
0.687 Remote Similarity NPD6274 Approved
0.687 Remote Similarity NPD6868 Approved
0.6864 Remote Similarity NPD6016 Approved
0.6864 Remote Similarity NPD6015 Approved
0.6847 Remote Similarity NPD4729 Approved
0.6847 Remote Similarity NPD4730 Approved
0.6847 Remote Similarity NPD5128 Approved
0.6838 Remote Similarity NPD7101 Approved
0.6838 Remote Similarity NPD7100 Approved
0.6832 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6672 Approved
0.6832 Remote Similarity NPD5737 Approved
0.6813 Remote Similarity NPD4789 Approved
0.6813 Remote Similarity NPD4244 Approved
0.6813 Remote Similarity NPD4245 Approved
0.681 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6807 Remote Similarity NPD5988 Approved
0.68 Remote Similarity NPD3574 Clinical (unspecified phase)
0.68 Remote Similarity NPD7334 Approved
0.68 Remote Similarity NPD7521 Approved
0.68 Remote Similarity NPD6684 Approved
0.68 Remote Similarity NPD5330 Approved
0.68 Remote Similarity NPD7146 Approved
0.68 Remote Similarity NPD6409 Approved
0.6786 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6778 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6778 Remote Similarity NPD5360 Phase 3
0.6768 Remote Similarity NPD3668 Phase 3
0.6762 Remote Similarity NPD5695 Phase 3
0.6752 Remote Similarity NPD6335 Approved
0.675 Remote Similarity NPD8328 Phase 3
0.6742 Remote Similarity NPD4224 Phase 2
0.6729 Remote Similarity NPD5696 Approved
0.6726 Remote Similarity NPD5249 Phase 3
0.6726 Remote Similarity NPD5251 Approved
0.6726 Remote Similarity NPD5247 Approved
0.6726 Remote Similarity NPD5250 Approved
0.6726 Remote Similarity NPD5248 Approved
0.6723 Remote Similarity NPD6909 Approved
0.6723 Remote Similarity NPD6908 Approved
0.6723 Remote Similarity NPD5983 Phase 2
0.6703 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6703 Remote Similarity NPD3698 Phase 2
0.6702 Remote Similarity NPD3702 Approved
0.6702 Remote Similarity NPD7339 Approved
0.6702 Remote Similarity NPD6942 Approved
0.6696 Remote Similarity NPD5168 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8418 Phase 2
0.6667 Remote Similarity NPD6903 Approved
0.6667 Remote Similarity NPD5217 Approved
0.6639 Remote Similarity NPD6336 Discontinued
0.6634 Remote Similarity NPD5279 Phase 3
0.6629 Remote Similarity NPD3171 Clinical (unspecified phase)
0.661 Remote Similarity NPD6313 Approved
0.661 Remote Similarity NPD6314 Approved
0.6607 Remote Similarity NPD6412 Phase 2
0.6606 Remote Similarity NPD1700 Approved
0.6604 Remote Similarity NPD5210 Approved
0.6604 Remote Similarity NPD4629 Approved
0.6598 Remote Similarity NPD6929 Approved
0.6598 Remote Similarity NPD7645 Phase 2
0.6583 Remote Similarity NPD6921 Approved
0.6579 Remote Similarity NPD5169 Approved
0.6579 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6579 Remote Similarity NPD5135 Approved
0.6579 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6574 Remote Similarity NPD4225 Approved
0.6566 Remote Similarity NPD4223 Phase 3
0.6566 Remote Similarity NPD4221 Approved
0.6559 Remote Similarity NPD5777 Approved
0.6535 Remote Similarity NPD5329 Approved
0.6532 Remote Similarity NPD6033 Approved
0.6531 Remote Similarity NPD5368 Approved
0.6531 Remote Similarity NPD6930 Phase 2
0.6531 Remote Similarity NPD6931 Approved
0.6522 Remote Similarity NPD5127 Approved
0.6509 Remote Similarity NPD6001 Approved
0.65 Remote Similarity NPD6695 Phase 3
0.6495 Remote Similarity NPD3671 Phase 1
0.6495 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6491 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5281 Approved

Structure

External Identifiers

PubChem CID   10720258
ChEMBL   CHEMBL473451
ZINC  

Physicochemical Properties

Molecular Weight:  502.37
ALogP:  0.4118
MLogP:  4.32
XLogP:  7.818
# Rotatable Bonds:  16
Polar Surface Area:  97.99
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# 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