Natural Product: NPC476721

Natural Product ID:  NPC476721
Common Name:   Nor-Asbestinin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H32O5
Standard InCHIKey:  ARTZUUBHXRPSMO-HFIGZDJHSA-N
Standard InCHI:  InChI=1S/C21H32O5/c1-11-8-15-12(2)10-24-21(4)7-5-6-14(23)9-16-18(17(15)20(21)26-16)19(11)25-13(3)22/h11-12,15-20H,5-10H2,1-4H3/t11-,12+,15?,16?,17+,18+,19-,20?,21+/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1[C@H](C)CC2[C@H]3[C@@H]1C1CC(=O)CCC[C@](C3O1)(C)OC[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
NPO33599 Briareum polyanthes Species Briareidae Eukaryota coral reef off Cabo Rojo, Puerto Rico, at a depth of 10-15 m 2000-OCT PMID[17190449]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 14 ug/ml 17190449

  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 NPC476721 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
0.9146 High Similarity NPC476717
0.9024 High Similarity NPC476715
0.8701 High Similarity NPC476718
0.8427 Intermediate Similarity NPC476722
0.8272 Intermediate Similarity NPC476719
0.8256 Intermediate Similarity NPC477441
0.8235 Intermediate Similarity NPC477434
0.8235 Intermediate Similarity NPC65133
0.8228 Intermediate Similarity NPC123122
0.8202 Intermediate Similarity NPC216137
0.8202 Intermediate Similarity NPC165180
0.8171 Intermediate Similarity NPC252483
0.8171 Intermediate Similarity NPC191345
0.8111 Intermediate Similarity NPC474379
0.8046 Intermediate Similarity NPC235196
0.8046 Intermediate Similarity NPC228593
0.8022 Intermediate Similarity NPC476716
0.7978 Intermediate Similarity NPC477443
0.7978 Intermediate Similarity NPC477440
0.7927 Intermediate Similarity NPC136424
0.7889 Intermediate Similarity NPC477442
0.7889 Intermediate Similarity NPC477433
0.7889 Intermediate Similarity NPC477444
0.7882 Intermediate Similarity NPC119922
0.7882 Intermediate Similarity NPC116320
0.7882 Intermediate Similarity NPC211049
0.7865 Intermediate Similarity NPC471221
0.7865 Intermediate Similarity NPC221993
0.7766 Intermediate Similarity NPC111348
0.7765 Intermediate Similarity NPC134227
0.7765 Intermediate Similarity NPC125366
0.7738 Intermediate Similarity NPC43463
0.7711 Intermediate Similarity NPC474020
0.7701 Intermediate Similarity NPC470261
0.7683 Intermediate Similarity NPC55508
0.7667 Intermediate Similarity NPC476435
0.7619 Intermediate Similarity NPC143250
0.7582 Intermediate Similarity NPC471459
0.7582 Intermediate Similarity NPC67653
0.7561 Intermediate Similarity NPC474755
0.7558 Intermediate Similarity NPC186594
0.7528 Intermediate Similarity NPC477205
0.7528 Intermediate Similarity NPC476725
0.7471 Intermediate Similarity NPC329490
0.7471 Intermediate Similarity NPC328639
0.7447 Intermediate Similarity NPC477495
0.7447 Intermediate Similarity NPC470424
0.7444 Intermediate Similarity NPC83242
0.7444 Intermediate Similarity NPC243746
0.7416 Intermediate Similarity NPC237938
0.7416 Intermediate Similarity NPC219535
0.7416 Intermediate Similarity NPC181871
0.7416 Intermediate Similarity NPC9060
0.7412 Intermediate Similarity NPC471151
0.7386 Intermediate Similarity NPC216800
0.7363 Intermediate Similarity NPC239938
0.7356 Intermediate Similarity NPC60568
0.7349 Intermediate Similarity NPC109510
0.734 Intermediate Similarity NPC476189
0.7333 Intermediate Similarity NPC473350
0.7333 Intermediate Similarity NPC474572
0.7333 Intermediate Similarity NPC477445
0.7303 Intermediate Similarity NPC127917
0.7303 Intermediate Similarity NPC15091
0.73 Intermediate Similarity NPC473701
0.73 Intermediate Similarity NPC473526
0.7292 Intermediate Similarity NPC163685
0.7292 Intermediate Similarity NPC235109
0.7292 Intermediate Similarity NPC116683
0.7283 Intermediate Similarity NPC476724
0.7283 Intermediate Similarity NPC226491
0.7283 Intermediate Similarity NPC476723
0.7283 Intermediate Similarity NPC92370
0.7283 Intermediate Similarity NPC477614
0.7273 Intermediate Similarity NPC45256
0.7273 Intermediate Similarity NPC260977
0.7273 Intermediate Similarity NPC285480
0.7273 Intermediate Similarity NPC30443
0.7263 Intermediate Similarity NPC76136
0.7263 Intermediate Similarity NPC329713
0.7263 Intermediate Similarity NPC309127
0.7263 Intermediate Similarity NPC247877
0.7263 Intermediate Similarity NPC217567
0.7253 Intermediate Similarity NPC214315
0.7234 Intermediate Similarity NPC52756
0.7229 Intermediate Similarity NPC96322
0.7222 Intermediate Similarity NPC471044
0.7222 Intermediate Similarity NPC473299
0.7222 Intermediate Similarity NPC473336
0.7216 Intermediate Similarity NPC266417
0.7209 Intermediate Similarity NPC474003
0.7204 Intermediate Similarity NPC61688
0.7204 Intermediate Similarity NPC291875
0.7204 Intermediate Similarity NPC200580
0.7191 Intermediate Similarity NPC13494
0.7191 Intermediate Similarity NPC102156
0.7191 Intermediate Similarity NPC148740
0.7188 Intermediate Similarity NPC287354
0.7188 Intermediate Similarity NPC62407
0.7188 Intermediate Similarity NPC82633
0.7188 Intermediate Similarity NPC17336
0.7188 Intermediate Similarity NPC217329
0.7179 Intermediate Similarity NPC469922
0.7159 Intermediate Similarity NPC472943
0.7159 Intermediate Similarity NPC472951
0.7159 Intermediate Similarity NPC471217
0.7159 Intermediate Similarity NPC471216
0.7158 Intermediate Similarity NPC477615
0.7143 Intermediate Similarity NPC253995
0.7143 Intermediate Similarity NPC478111
0.7143 Intermediate Similarity NPC93616
0.7128 Intermediate Similarity NPC475211
0.7128 Intermediate Similarity NPC88337
0.7128 Intermediate Similarity NPC185529
0.7128 Intermediate Similarity NPC470262
0.7128 Intermediate Similarity NPC470114
0.7128 Intermediate Similarity NPC472146
0.7125 Intermediate Similarity NPC469926
0.7113 Intermediate Similarity NPC193785
0.7113 Intermediate Similarity NPC475785
0.7113 Intermediate Similarity NPC475765
0.71 Intermediate Similarity NPC471254
0.71 Intermediate Similarity NPC470172
0.7097 Intermediate Similarity NPC473319
0.7097 Intermediate Similarity NPC476379
0.7097 Intermediate Similarity NPC131104
0.7097 Intermediate Similarity NPC3032
0.7093 Intermediate Similarity NPC471046
0.7083 Intermediate Similarity NPC470423
0.7079 Intermediate Similarity NPC475743
0.7079 Intermediate Similarity NPC470154
0.7079 Intermediate Similarity NPC71541
0.7065 Intermediate Similarity NPC80700
0.7065 Intermediate Similarity NPC475684
0.7065 Intermediate Similarity NPC475729
0.7065 Intermediate Similarity NPC246347
0.7065 Intermediate Similarity NPC279260
0.7065 Intermediate Similarity NPC474008
0.7065 Intermediate Similarity NPC474215
0.7059 Intermediate Similarity NPC96759
0.7053 Intermediate Similarity NPC475878
0.7053 Intermediate Similarity NPC41838
0.7053 Intermediate Similarity NPC312805
0.7053 Intermediate Similarity NPC470230
0.7045 Intermediate Similarity NPC477287
0.7045 Intermediate Similarity NPC474754
0.7033 Intermediate Similarity NPC50438
0.7033 Intermediate Similarity NPC475689
0.703 Intermediate Similarity NPC473406
0.703 Intermediate Similarity NPC471253
0.7024 Intermediate Similarity NPC470243
0.7021 Intermediate Similarity NPC56962
0.7021 Intermediate Similarity NPC24705
0.7019 Intermediate Similarity NPC474242
0.7011 Intermediate Similarity NPC307865
0.7 Intermediate Similarity NPC178853
0.7 Intermediate Similarity NPC477447
0.7 Intermediate Similarity NPC477446
0.7 Intermediate Similarity NPC470155
0.7 Intermediate Similarity NPC477284
0.6989 Remote Similarity NPC44538
0.6989 Remote Similarity NPC263802
0.6989 Remote Similarity NPC471377
0.697 Remote Similarity NPC472144
0.697 Remote Similarity NPC474793
0.697 Remote Similarity NPC17183
0.6966 Remote Similarity NPC1882
0.6961 Remote Similarity NPC469629
0.6957 Remote Similarity NPC131350
0.6952 Remote Similarity NPC470622
0.6947 Remote Similarity NPC18536
0.6947 Remote Similarity NPC471378
0.6947 Remote Similarity NPC50443
0.6947 Remote Similarity NPC312471
0.6939 Remote Similarity NPC476728
0.6931 Remote Similarity NPC244969
0.6931 Remote Similarity NPC213528
0.6923 Remote Similarity NPC239308
0.6923 Remote Similarity NPC153587
0.6915 Remote Similarity NPC56777
0.6915 Remote Similarity NPC470260
0.6915 Remote Similarity NPC201607
0.6915 Remote Similarity NPC75443
0.6915 Remote Similarity NPC191221
0.69 Remote Similarity NPC477656
0.6893 Remote Similarity NPC103088
0.6893 Remote Similarity NPC470975
0.6893 Remote Similarity NPC200957
0.6893 Remote Similarity NPC138908
0.6893 Remote Similarity NPC470979
0.6893 Remote Similarity NPC470587
0.6889 Remote Similarity NPC470156
0.6887 Remote Similarity NPC470246
0.6887 Remote Similarity NPC157476
0.6882 Remote Similarity NPC472745
0.6882 Remote Similarity NPC302111
0.6882 Remote Similarity NPC114378
0.6882 Remote Similarity NPC103782
0.6882 Remote Similarity NPC472272
0.6875 Remote Similarity NPC122057

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476721 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
0.7273 Intermediate Similarity NPD1780 Approved
0.7273 Intermediate Similarity NPD1779 Approved
0.7 Intermediate Similarity NPD1700 Approved
0.6762 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6559 Remote Similarity NPD3669 Approved
0.6559 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6556 Remote Similarity NPD6697 Approved
0.6556 Remote Similarity NPD6115 Approved
0.6556 Remote Similarity NPD6118 Approved
0.6556 Remote Similarity NPD6114 Approved
0.6506 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6471 Remote Similarity NPD229 Approved
0.6444 Remote Similarity NPD6116 Phase 1
0.6437 Remote Similarity NPD5777 Approved
0.6404 Remote Similarity NPD3703 Phase 2
0.6333 Remote Similarity NPD6117 Approved
0.6322 Remote Similarity NPD2687 Approved
0.6322 Remote Similarity NPD2254 Approved
0.6322 Remote Similarity NPD2686 Approved
0.6321 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6008 Approved
0.6196 Remote Similarity NPD4802 Phase 2
0.6196 Remote Similarity NPD4238 Approved
0.6186 Remote Similarity NPD7492 Approved
0.6134 Remote Similarity NPD6616 Approved
0.6121 Remote Similarity NPD6319 Approved
0.6121 Remote Similarity NPD6054 Approved
0.6121 Remote Similarity NPD6059 Approved
0.6111 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6083 Remote Similarity NPD8293 Discontinued
0.6083 Remote Similarity NPD7078 Approved
0.6068 Remote Similarity NPD6921 Approved
0.6055 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6044 Remote Similarity NPD3702 Approved
0.6033 Remote Similarity NPD7736 Approved
0.6017 Remote Similarity NPD6370 Approved
0.6 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5963 Remote Similarity NPD7128 Approved
0.5963 Remote Similarity NPD6402 Approved
0.5963 Remote Similarity NPD6675 Approved
0.5963 Remote Similarity NPD5739 Approved
0.5955 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5946 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5946 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5934 Remote Similarity NPD1811 Approved
0.5934 Remote Similarity NPD1810 Approved
0.5932 Remote Similarity NPD6015 Approved
0.5932 Remote Similarity NPD6016 Approved
0.5929 Remote Similarity NPD8297 Approved
0.5893 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5889 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5889 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5988 Approved
0.5882 Remote Similarity NPD8034 Phase 2
0.5882 Remote Similarity NPD8035 Phase 2
0.5877 Remote Similarity NPD4632 Approved
0.5856 Remote Similarity NPD6881 Approved
0.5856 Remote Similarity NPD6899 Approved
0.5856 Remote Similarity NPD7320 Approved
0.5843 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5843 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5833 Remote Similarity NPD8083 Approved
0.5833 Remote Similarity NPD8300 Approved
0.5833 Remote Similarity NPD8328 Phase 3
0.5833 Remote Similarity NPD8082 Approved
0.5833 Remote Similarity NPD8085 Approved
0.5833 Remote Similarity NPD8139 Approved
0.5833 Remote Similarity NPD8138 Approved
0.5833 Remote Similarity NPD8301 Approved
0.5833 Remote Similarity NPD8086 Approved
0.5833 Remote Similarity NPD8084 Approved
0.5825 Remote Similarity NPD5778 Approved
0.5825 Remote Similarity NPD5779 Approved
0.5814 Remote Similarity NPD371 Approved
0.5814 Remote Similarity NPD7909 Approved
0.5804 Remote Similarity NPD6373 Approved
0.5804 Remote Similarity NPD6372 Approved
0.578 Remote Similarity NPD8276 Approved
0.578 Remote Similarity NPD8275 Approved
0.5773 Remote Similarity NPD7345 Approved
0.5769 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5769 Remote Similarity NPD7900 Approved
0.5766 Remote Similarity NPD5697 Approved
0.5766 Remote Similarity NPD5701 Approved
0.5752 Remote Similarity NPD7102 Approved
0.5752 Remote Similarity NPD7290 Approved
0.5752 Remote Similarity NPD6883 Approved
0.5739 Remote Similarity NPD8133 Approved
0.573 Remote Similarity NPD5360 Phase 3
0.573 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5728 Remote Similarity NPD7983 Approved
0.5727 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5727 Remote Similarity NPD8081 Approved
0.5727 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5726 Remote Similarity NPD7319 Approved
0.5726 Remote Similarity NPD6009 Approved
0.5714 Remote Similarity NPD6081 Approved
0.5714 Remote Similarity NPD6125 Clinical (unspecified phase)
0.5702 Remote Similarity NPD6847 Approved
0.5702 Remote Similarity NPD6869 Approved
0.5702 Remote Similarity NPD6649 Approved
0.5702 Remote Similarity NPD7604 Phase 2
0.5702 Remote Similarity NPD8130 Phase 1
0.5702 Remote Similarity NPD6650 Approved
0.5702 Remote Similarity NPD6617 Approved
0.5686 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5686 Remote Similarity NPD6101 Approved
0.5682 Remote Similarity NPD4224 Phase 2
0.5676 Remote Similarity NPD8393 Approved
0.5673 Remote Similarity NPD6399 Phase 3
0.5667 Remote Similarity NPD8517 Approved
0.5667 Remote Similarity NPD8513 Phase 3
0.5667 Remote Similarity NPD8516 Approved
0.5667 Remote Similarity NPD8515 Approved
0.5667 Remote Similarity NPD5983 Phase 2
0.5664 Remote Similarity NPD6012 Approved
0.5664 Remote Similarity NPD6013 Approved
0.5664 Remote Similarity NPD6014 Approved
0.5652 Remote Similarity NPD6882 Approved
0.5652 Remote Similarity NPD6053 Discontinued
0.5645 Remote Similarity NPD6033 Approved
0.5644 Remote Similarity NPD3573 Approved
0.5625 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5619 Remote Similarity NPD7748 Approved
0.5614 Remote Similarity NPD4634 Approved
0.5612 Remote Similarity NPD6435 Approved
0.561 Remote Similarity NPD6336 Discontinued
0.561 Remote Similarity NPD7507 Approved
0.5607 Remote Similarity NPD7902 Approved
0.5604 Remote Similarity NPD4244 Approved
0.5604 Remote Similarity NPD4245 Approved
0.56 Remote Similarity NPD7520 Clinical (unspecified phase)
0.56 Remote Similarity NPD1733 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44566430
ChEMBL   CHEMBL518883
ZINC  

Physicochemical Properties

Molecular Weight:  364.22
ALogP:  -1.1901
MLogP:  3.22
XLogP:  2.301
# Rotatable Bonds:  6
Polar Surface Area:  61.83
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  26

Download Data

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