Natural Product: NPC280781

Natural Product ID:  NPC280781
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H48O3
Standard InCHIKey:  HESDPPFWDULRQU-LZRJWOMQSA-N
Standard InCHI:  InChI=1S/C30H48O3/c1-24(2)14-16-29-17-15-28(7)27(6)12-8-19-25(3,4)22(31)10-11-26(19,5)20(27)9-13-30(28,21(29)18-24)33-23(29)32/h19-22,31H,8-18H2,1-7H3/t19-,20+,21+,22-,26-,27+,28-,29-,30-/m0/s1
Canonical SMILES:  O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@]23[C@@]1(C)CC[C@@]1([C@H]3CC(C)(C)CC1)C(=O)O2)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
NPO6095 Xanthoparmelia verruculifera Species Parmeliaceae Eukaryota UNPD*
NPO28520 Heliotropium subulatum Species Heliotropiaceae Eukaryota UNPD*
NPO28354 Tragacantha stipulosa NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LC50 > 700 ppm 10.1021/np50067a028

  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 NPC280781 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 NPC48756
0.925 High Similarity NPC62572
0.9231 High Similarity NPC50658
0.9221 High Similarity NPC73013
0.9091 High Similarity NPC472608
0.9091 High Similarity NPC31031
0.9091 High Similarity NPC243594
0.8987 High Similarity NPC58631
0.8987 High Similarity NPC474870
0.8987 High Similarity NPC271572
0.8929 High Similarity NPC472146
0.8929 High Similarity NPC185529
0.8889 High Similarity NPC34984
0.8889 High Similarity NPC473299
0.8889 High Similarity NPC25037
0.8816 High Similarity NPC159325
0.8816 High Similarity NPC168511
0.875 High Similarity NPC476071
0.8721 High Similarity NPC472148
0.8721 High Similarity NPC472147
0.8718 High Similarity NPC143133
0.8718 High Similarity NPC298168
0.8684 High Similarity NPC68426
0.8684 High Similarity NPC477229
0.8684 High Similarity NPC282905
0.8659 High Similarity NPC105895
0.8642 High Similarity NPC289486
0.8642 High Similarity NPC61107
0.8625 High Similarity NPC261616
0.8608 High Similarity NPC26029
0.859 High Similarity NPC108840
0.8523 High Similarity NPC82633
0.8488 Intermediate Similarity NPC18536
0.8488 Intermediate Similarity NPC50443
0.8481 Intermediate Similarity NPC23884
0.8481 Intermediate Similarity NPC307865
0.8462 Intermediate Similarity NPC267753
0.8462 Intermediate Similarity NPC212733
0.8427 Intermediate Similarity NPC235109
0.8427 Intermediate Similarity NPC163685
0.8372 Intermediate Similarity NPC67653
0.8372 Intermediate Similarity NPC471459
0.8354 Intermediate Similarity NPC4209
0.8333 Intermediate Similarity NPC167702
0.8333 Intermediate Similarity NPC280026
0.8333 Intermediate Similarity NPC130011
0.8295 Intermediate Similarity NPC49776
0.8295 Intermediate Similarity NPC63118
0.8295 Intermediate Similarity NPC474436
0.8272 Intermediate Similarity NPC201276
0.8272 Intermediate Similarity NPC80891
0.8267 Intermediate Similarity NPC41542
0.825 Intermediate Similarity NPC207010
0.825 Intermediate Similarity NPC317913
0.8242 Intermediate Similarity NPC472144
0.8228 Intermediate Similarity NPC97534
0.8228 Intermediate Similarity NPC174964
0.8228 Intermediate Similarity NPC195155
0.8214 Intermediate Similarity NPC237938
0.8214 Intermediate Similarity NPC219535
0.8214 Intermediate Similarity NPC474996
0.8205 Intermediate Similarity NPC81759
0.8205 Intermediate Similarity NPC109510
0.8205 Intermediate Similarity NPC475230
0.8205 Intermediate Similarity NPC253805
0.8193 Intermediate Similarity NPC30583
0.8158 Intermediate Similarity NPC2568
0.8158 Intermediate Similarity NPC103647
0.8158 Intermediate Similarity NPC100917
0.8158 Intermediate Similarity NPC180777
0.8158 Intermediate Similarity NPC281203
0.8158 Intermediate Similarity NPC469724
0.8158 Intermediate Similarity NPC260319
0.8158 Intermediate Similarity NPC31187
0.8148 Intermediate Similarity NPC324700
0.8148 Intermediate Similarity NPC224802
0.8148 Intermediate Similarity NPC171426
0.8148 Intermediate Similarity NPC80089
0.8148 Intermediate Similarity NPC34046
0.8133 Intermediate Similarity NPC84562
0.8132 Intermediate Similarity NPC472145
0.8125 Intermediate Similarity NPC475742
0.8125 Intermediate Similarity NPC5767
0.8118 Intermediate Similarity NPC477445
0.8101 Intermediate Similarity NPC74639
0.8101 Intermediate Similarity NPC55508
0.8077 Intermediate Similarity NPC89310
0.8077 Intermediate Similarity NPC247195
0.8072 Intermediate Similarity NPC12933
0.8052 Intermediate Similarity NPC178541
0.8049 Intermediate Similarity NPC220379
0.8049 Intermediate Similarity NPC320144
0.8046 Intermediate Similarity NPC473319
0.8046 Intermediate Similarity NPC131104
0.8046 Intermediate Similarity NPC3032
0.8043 Intermediate Similarity NPC234617
0.8043 Intermediate Similarity NPC124703
0.8025 Intermediate Similarity NPC112463
0.8025 Intermediate Similarity NPC221420
0.8023 Intermediate Similarity NPC12774
0.8023 Intermediate Similarity NPC187545
0.8023 Intermediate Similarity NPC83242
0.8 Intermediate Similarity NPC303863
0.8 Intermediate Similarity NPC230047
0.8 Intermediate Similarity NPC19311
0.8 Intermediate Similarity NPC179858
0.8 Intermediate Similarity NPC477434
0.8 Intermediate Similarity NPC471044
0.8 Intermediate Similarity NPC473336
0.7976 Intermediate Similarity NPC13494
0.7975 Intermediate Similarity NPC232112
0.7949 Intermediate Similarity NPC477929
0.7931 Intermediate Similarity NPC252714
0.7931 Intermediate Similarity NPC33768
0.7927 Intermediate Similarity NPC185465
0.7922 Intermediate Similarity NPC475977
0.7907 Intermediate Similarity NPC294438
0.7907 Intermediate Similarity NPC264317
0.7907 Intermediate Similarity NPC131350
0.7901 Intermediate Similarity NPC471046
0.7901 Intermediate Similarity NPC472487
0.7901 Intermediate Similarity NPC472486
0.7889 Intermediate Similarity NPC472231
0.7889 Intermediate Similarity NPC472232
0.7882 Intermediate Similarity NPC269684
0.7872 Intermediate Similarity NPC235142
0.7865 Intermediate Similarity NPC475211
0.7865 Intermediate Similarity NPC88337
0.7865 Intermediate Similarity NPC470114
0.7857 Intermediate Similarity NPC475743
0.7857 Intermediate Similarity NPC73515
0.7849 Intermediate Similarity NPC164349
0.7848 Intermediate Similarity NPC58057
0.7848 Intermediate Similarity NPC156277
0.7848 Intermediate Similarity NPC151018
0.7848 Intermediate Similarity NPC290058
0.7848 Intermediate Similarity NPC320549
0.7848 Intermediate Similarity NPC478227
0.7848 Intermediate Similarity NPC469940
0.7841 Intermediate Similarity NPC474719
0.7841 Intermediate Similarity NPC40552
0.7841 Intermediate Similarity NPC4309
0.7841 Intermediate Similarity NPC246708
0.7841 Intermediate Similarity NPC471221
0.7826 Intermediate Similarity NPC327179
0.7821 Intermediate Similarity NPC196197
0.7821 Intermediate Similarity NPC476734
0.7821 Intermediate Similarity NPC252032
0.7821 Intermediate Similarity NPC213178
0.7821 Intermediate Similarity NPC327728
0.7821 Intermediate Similarity NPC469941
0.7821 Intermediate Similarity NPC6120
0.7821 Intermediate Similarity NPC319671
0.7821 Intermediate Similarity NPC131892
0.7816 Intermediate Similarity NPC92139
0.7816 Intermediate Similarity NPC248216
0.7816 Intermediate Similarity NPC2783
0.7816 Intermediate Similarity NPC72638
0.7816 Intermediate Similarity NPC120395
0.7805 Intermediate Similarity NPC474404
0.7805 Intermediate Similarity NPC475031
0.7802 Intermediate Similarity NPC309127
0.7802 Intermediate Similarity NPC247877
0.7792 Intermediate Similarity NPC476928
0.7791 Intermediate Similarity NPC319909
0.7791 Intermediate Similarity NPC171789
0.7778 Intermediate Similarity NPC160506
0.7778 Intermediate Similarity NPC21220
0.7778 Intermediate Similarity NPC125767
0.7778 Intermediate Similarity NPC273366
0.7778 Intermediate Similarity NPC475878
0.7778 Intermediate Similarity NPC475416
0.7766 Intermediate Similarity NPC80417
0.7765 Intermediate Similarity NPC268040
0.7765 Intermediate Similarity NPC2096
0.7765 Intermediate Similarity NPC121121
0.7765 Intermediate Similarity NPC208912
0.7753 Intermediate Similarity NPC470588
0.7753 Intermediate Similarity NPC30522
0.7738 Intermediate Similarity NPC477851
0.7738 Intermediate Similarity NPC125366
0.7733 Intermediate Similarity NPC290791
0.7733 Intermediate Similarity NPC292419
0.7727 Intermediate Similarity NPC102683
0.7727 Intermediate Similarity NPC68160
0.7727 Intermediate Similarity NPC130577
0.7727 Intermediate Similarity NPC307426
0.7727 Intermediate Similarity NPC88716
0.7727 Intermediate Similarity NPC264005
0.7727 Intermediate Similarity NPC269360
0.7727 Intermediate Similarity NPC142415
0.7727 Intermediate Similarity NPC171203
0.7727 Intermediate Similarity NPC470920
0.7727 Intermediate Similarity NPC293564
0.7727 Intermediate Similarity NPC18064
0.7727 Intermediate Similarity NPC242468
0.7727 Intermediate Similarity NPC51700
0.7727 Intermediate Similarity NPC98442
0.7722 Intermediate Similarity NPC108131
0.7711 Intermediate Similarity NPC476732

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC280781 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
0.8354 Intermediate Similarity NPD6117 Approved
0.8333 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.825 Intermediate Similarity NPD6116 Phase 1
0.8148 Intermediate Similarity NPD6115 Approved
0.8148 Intermediate Similarity NPD6118 Approved
0.8148 Intermediate Similarity NPD6697 Approved
0.8148 Intermediate Similarity NPD6114 Approved
0.7907 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD8034 Phase 2
0.7778 Intermediate Similarity NPD8035 Phase 2
0.7625 Intermediate Similarity NPD5777 Approved
0.7561 Intermediate Similarity NPD3702 Approved
0.7561 Intermediate Similarity NPD3703 Phase 2
0.75 Intermediate Similarity NPD4244 Approved
0.75 Intermediate Similarity NPD4245 Approved
0.7468 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD5360 Phase 3
0.7436 Intermediate Similarity NPD4224 Phase 2
0.7419 Intermediate Similarity NPD7748 Approved
0.7391 Intermediate Similarity NPD7515 Phase 2
0.7375 Intermediate Similarity NPD3698 Phase 2
0.7368 Intermediate Similarity NPD7902 Approved
0.7284 Intermediate Similarity NPD4789 Approved
0.7195 Intermediate Similarity NPD6081 Approved
0.7093 Intermediate Similarity NPD3671 Phase 1
0.7089 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7900 Approved
0.6988 Remote Similarity NPD4758 Discontinued
0.6951 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6399 Phase 3
0.6742 Remote Similarity NPD6928 Phase 2
0.6705 Remote Similarity NPD5364 Discontinued
0.6667 Remote Similarity NPD4787 Phase 1
0.6667 Remote Similarity NPD3618 Phase 1
0.6629 Remote Similarity NPD7645 Phase 2
0.6602 Remote Similarity NPD8170 Clinical (unspecified phase)
0.66 Remote Similarity NPD7638 Approved
0.6538 Remote Similarity NPD6402 Approved
0.6538 Remote Similarity NPD7128 Approved
0.6538 Remote Similarity NPD5739 Approved
0.6538 Remote Similarity NPD6675 Approved
0.6535 Remote Similarity NPD7639 Approved
0.6535 Remote Similarity NPD7640 Approved
0.6535 Remote Similarity NPD8418 Phase 2
0.6526 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4788 Approved
0.6509 Remote Similarity NPD6372 Approved
0.6509 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6373 Approved
0.6458 Remote Similarity NPD5328 Approved
0.6456 Remote Similarity NPD3198 Approved
0.6452 Remote Similarity NPD4786 Approved
0.6447 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6422 Remote Similarity NPD8133 Approved
0.6415 Remote Similarity NPD6881 Approved
0.6415 Remote Similarity NPD6899 Approved
0.6415 Remote Similarity NPD7320 Approved
0.6415 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6413 Remote Similarity NPD3667 Approved
0.6408 Remote Similarity NPD7632 Discontinued
0.6396 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6650 Approved
0.6389 Remote Similarity NPD6649 Approved
0.6337 Remote Similarity NPD6084 Phase 2
0.6337 Remote Similarity NPD6083 Phase 2
0.6327 Remote Similarity NPD6079 Approved
0.6321 Remote Similarity NPD5701 Approved
0.6321 Remote Similarity NPD5697 Approved
0.6316 Remote Similarity NPD7521 Approved
0.6316 Remote Similarity NPD7334 Approved
0.6316 Remote Similarity NPD5330 Approved
0.6316 Remote Similarity NPD7146 Approved
0.6316 Remote Similarity NPD6684 Approved
0.6316 Remote Similarity NPD6409 Approved
0.63 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6296 Remote Similarity NPD7290 Approved
0.6296 Remote Similarity NPD6883 Approved
0.6296 Remote Similarity NPD7102 Approved
0.6263 Remote Similarity NPD4202 Approved
0.6262 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD7115 Discovery
0.625 Remote Similarity NPD3573 Approved
0.6239 Remote Similarity NPD6847 Approved
0.6239 Remote Similarity NPD6617 Approved
0.6239 Remote Similarity NPD8130 Phase 1
0.6239 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6869 Approved
0.6235 Remote Similarity NPD229 Approved
0.6234 Remote Similarity NPD615 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6920 Discontinued
0.6204 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6204 Remote Similarity NPD6014 Approved
0.6204 Remote Similarity NPD6013 Approved
0.6204 Remote Similarity NPD6012 Approved
0.6196 Remote Similarity NPD7525 Registered
0.6186 Remote Similarity NPD6903 Approved
0.6182 Remote Similarity NPD6882 Approved
0.6182 Remote Similarity NPD8297 Approved
0.617 Remote Similarity NPD3670 Clinical (unspecified phase)
0.617 Remote Similarity NPD3669 Approved
0.6154 Remote Similarity NPD1700 Approved
0.6147 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6129 Remote Similarity NPD1780 Approved
0.6129 Remote Similarity NPD1779 Approved
0.6122 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6117 Remote Similarity NPD4225 Approved
0.6117 Remote Similarity NPD5696 Approved
0.6105 Remote Similarity NPD3133 Approved
0.6105 Remote Similarity NPD3666 Approved
0.6105 Remote Similarity NPD3665 Phase 1
0.61 Remote Similarity NPD8171 Discontinued
0.6078 Remote Similarity NPD4697 Phase 3
0.6075 Remote Similarity NPD6008 Approved
0.6068 Remote Similarity NPD8328 Phase 3
0.6042 Remote Similarity NPD1694 Approved
0.604 Remote Similarity NPD6001 Approved
0.602 Remote Similarity NPD5737 Approved
0.602 Remote Similarity NPD6672 Approved
0.6019 Remote Similarity NPD4755 Approved
0.6018 Remote Similarity NPD6940 Discontinued
0.6 Remote Similarity NPD6411 Approved
0.598 Remote Similarity NPD5695 Phase 3
0.5979 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5979 Remote Similarity NPD6098 Approved
0.5978 Remote Similarity NPD4802 Phase 2
0.5978 Remote Similarity NPD4238 Approved
0.5977 Remote Similarity NPD3725 Approved
0.5977 Remote Similarity NPD3726 Approved
0.5963 Remote Similarity NPD6415 Discontinued
0.5952 Remote Similarity NPD7909 Approved
0.5922 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5922 Remote Similarity NPD5222 Approved
0.5922 Remote Similarity NPD5221 Approved
0.5913 Remote Similarity NPD6335 Approved
0.5905 Remote Similarity NPD5285 Approved
0.5905 Remote Similarity NPD4696 Approved
0.5905 Remote Similarity NPD5286 Approved
0.5905 Remote Similarity NPD4700 Approved
0.5897 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5882 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5877 Remote Similarity NPD6868 Approved
0.5877 Remote Similarity NPD6274 Approved
0.5872 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5872 Remote Similarity NPD7646 Clinical (unspecified phase)
0.5868 Remote Similarity NPD7736 Approved
0.5865 Remote Similarity NPD5173 Approved
0.5862 Remote Similarity NPD7101 Approved
0.5862 Remote Similarity NPD7100 Approved
0.5849 Remote Similarity NPD5223 Approved
0.5841 Remote Similarity NPD8298 Phase 2
0.5841 Remote Similarity NPD4632 Approved
0.5833 Remote Similarity NPD7507 Approved
0.5826 Remote Similarity NPD6317 Approved
0.5806 Remote Similarity NPD3617 Approved
0.58 Remote Similarity NPD6080 Approved
0.58 Remote Similarity NPD5764 Clinical (unspecified phase)
0.58 Remote Similarity NPD6673 Approved
0.58 Remote Similarity NPD4753 Phase 2
0.58 Remote Similarity NPD6904 Approved
0.58 Remote Similarity NPD6101 Approved
0.5794 Remote Similarity NPD5224 Approved
0.5794 Remote Similarity NPD5225 Approved
0.5794 Remote Similarity NPD5226 Approved
0.5794 Remote Similarity NPD5211 Phase 2
0.5794 Remote Similarity NPD4633 Approved
0.5776 Remote Similarity NPD6313 Approved
0.5776 Remote Similarity NPD6314 Approved
0.5773 Remote Similarity NPD3668 Phase 3
0.5769 Remote Similarity NPD7614 Phase 1
0.5769 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5765 Remote Similarity NPD371 Approved
0.5763 Remote Similarity NPD6908 Approved
0.5763 Remote Similarity NPD6909 Approved
0.5763 Remote Similarity NPD6921 Approved
0.575 Remote Similarity NPD7492 Approved
0.5743 Remote Similarity NPD5207 Approved
0.5741 Remote Similarity NPD5174 Approved
0.5741 Remote Similarity NPD5175 Approved
0.5741 Remote Similarity NPD4754 Approved
0.5733 Remote Similarity NPD384 Approved
0.5733 Remote Similarity NPD385 Approved
0.5729 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5729 Remote Similarity NPD4223 Phase 3
0.5729 Remote Similarity NPD4221 Approved
0.5727 Remote Similarity NPD6412 Phase 2
0.5714 Remote Similarity NPD5329 Approved
0.5702 Remote Similarity NPD6616 Approved
0.57 Remote Similarity NPD5208 Approved
0.5691 Remote Similarity NPD7319 Approved
0.569 Remote Similarity NPD6009 Approved
0.5688 Remote Similarity NPD5141 Approved
0.5686 Remote Similarity NPD5284 Approved
0.5686 Remote Similarity NPD5281 Approved
0.5678 Remote Similarity NPD6059 Approved
0.5678 Remote Similarity NPD6054 Approved

Structure

External Identifiers

PubChem CID   21594247
ChEMBL   CHEMBL463067
ZINC  

Physicochemical Properties

Molecular Weight:  456.36
ALogP:  2.2668
MLogP:  4.43
XLogP:  8.543
# Rotatable Bonds:  8
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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