Natural Product: NPC476719

Natural Product ID:  NPC476719
Common Name:   n.a.
IUPAC Name:  
Synonyms:   Asbestinin-25
Molecular Formula:   C23H38O6
Standard InCHIKey:  SHHCCZSDXWGINH-VWIFSDQYSA-N
Standard InCHI:  InChI=1S/C23H38O6/c1-12-9-15-13(2)11-27-23(5)8-7-17(26-6)22(4,25)10-16-19(18(15)21(23)29-16)20(12)28-14(3)24/h12-13,15-21,25H,7-11H2,1-6H3/t12-,13+,15?,16?,17-,18+,19+,20-,21?,22-,23+/m1/s1
Canonical SMILES:  CO[C@@H]1CC[C@]2(C)OC[C@@H](C3[C@@H]4C2OC(C[C@@]1(C)O)[C@@H]4[C@H](OC(=O)C)[C@@H](C3)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
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 >= 50 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 NPC476719 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
0.9583 High Similarity NPC136424
0.9437 High Similarity NPC476718
0.9324 High Similarity NPC43463
0.9324 High Similarity NPC252483
0.9324 High Similarity NPC191345
0.9079 High Similarity NPC186594
0.8987 High Similarity NPC476715
0.8961 High Similarity NPC116320
0.8961 High Similarity NPC119922
0.8961 High Similarity NPC211049
0.8904 High Similarity NPC123122
0.8846 High Similarity NPC216800
0.859 High Similarity NPC472951
0.859 High Similarity NPC472943
0.8519 High Similarity NPC93616
0.8481 Intermediate Similarity NPC470154
0.8434 Intermediate Similarity NPC476724
0.8434 Intermediate Similarity NPC476723
0.8415 Intermediate Similarity NPC228593
0.8415 Intermediate Similarity NPC235196
0.8415 Intermediate Similarity NPC279260
0.8415 Intermediate Similarity NPC246347
0.8375 Intermediate Similarity NPC477447
0.8375 Intermediate Similarity NPC477446
0.8375 Intermediate Similarity NPC470155
0.8313 Intermediate Similarity NPC471377
0.8293 Intermediate Similarity NPC476725
0.8272 Intermediate Similarity NPC476721
0.825 Intermediate Similarity NPC470156
0.8193 Intermediate Similarity NPC476717
0.8193 Intermediate Similarity NPC475684
0.8171 Intermediate Similarity NPC18953
0.8095 Intermediate Similarity NPC44538
0.8072 Intermediate Similarity NPC196911
0.8072 Intermediate Similarity NPC471379
0.8025 Intermediate Similarity NPC118116
0.8023 Intermediate Similarity NPC470262
0.8 Intermediate Similarity NPC92370
0.8 Intermediate Similarity NPC470260
0.8 Intermediate Similarity NPC75443
0.7976 Intermediate Similarity NPC477283
0.7976 Intermediate Similarity NPC215968
0.7976 Intermediate Similarity NPC155531
0.7976 Intermediate Similarity NPC471410
0.7976 Intermediate Similarity NPC471411
0.7949 Intermediate Similarity NPC472950
0.7949 Intermediate Similarity NPC472952
0.7931 Intermediate Similarity NPC312805
0.7931 Intermediate Similarity NPC41838
0.7927 Intermediate Similarity NPC477286
0.7927 Intermediate Similarity NPC286719
0.7907 Intermediate Similarity NPC161560
0.7907 Intermediate Similarity NPC291875
0.7882 Intermediate Similarity NPC45833
0.7882 Intermediate Similarity NPC213658
0.7882 Intermediate Similarity NPC62202
0.7882 Intermediate Similarity NPC110365
0.7831 Intermediate Similarity NPC111582
0.7831 Intermediate Similarity NPC5958
0.7831 Intermediate Similarity NPC29342
0.7831 Intermediate Similarity NPC2572
0.7831 Intermediate Similarity NPC239308
0.7831 Intermediate Similarity NPC477285
0.7831 Intermediate Similarity NPC127917
0.7831 Intermediate Similarity NPC470261
0.7816 Intermediate Similarity NPC312471
0.7816 Intermediate Similarity NPC471378
0.7805 Intermediate Similarity NPC190940
0.7765 Intermediate Similarity NPC214315
0.7765 Intermediate Similarity NPC64862
0.7727 Intermediate Similarity NPC122057
0.7727 Intermediate Similarity NPC91251
0.7711 Intermediate Similarity NPC60018
0.7711 Intermediate Similarity NPC202688
0.7711 Intermediate Similarity NPC103171
0.7711 Intermediate Similarity NPC154043
0.7683 Intermediate Similarity NPC474714
0.7683 Intermediate Similarity NPC471216
0.7683 Intermediate Similarity NPC471217
0.7667 Intermediate Similarity NPC476720
0.7647 Intermediate Similarity NPC266651
0.7619 Intermediate Similarity NPC69953
0.7595 Intermediate Similarity NPC472945
0.7595 Intermediate Similarity NPC470151
0.7595 Intermediate Similarity NPC472944
0.759 Intermediate Similarity NPC77003
0.759 Intermediate Similarity NPC71541
0.7586 Intermediate Similarity NPC470872
0.7586 Intermediate Similarity NPC201607
0.7586 Intermediate Similarity NPC56777
0.7586 Intermediate Similarity NPC476435
0.7586 Intermediate Similarity NPC471221
0.7561 Intermediate Similarity NPC477287
0.7561 Intermediate Similarity NPC476176
0.7558 Intermediate Similarity NPC114378
0.7558 Intermediate Similarity NPC103782
0.7558 Intermediate Similarity NPC131365
0.7528 Intermediate Similarity NPC473066
0.75 Intermediate Similarity NPC476928
0.75 Intermediate Similarity NPC36479
0.75 Intermediate Similarity NPC208912
0.75 Intermediate Similarity NPC477284
0.75 Intermediate Similarity NPC102156
0.75 Intermediate Similarity NPC148740
0.75 Intermediate Similarity NPC2096
0.75 Intermediate Similarity NPC186851
0.7471 Intermediate Similarity NPC5943
0.7444 Intermediate Similarity NPC256104
0.7444 Intermediate Similarity NPC475307
0.7444 Intermediate Similarity NPC182740
0.7444 Intermediate Similarity NPC122083
0.7444 Intermediate Similarity NPC211845
0.7442 Intermediate Similarity NPC235402
0.7412 Intermediate Similarity NPC474346
0.7412 Intermediate Similarity NPC470070
0.7412 Intermediate Similarity NPC475820
0.7412 Intermediate Similarity NPC213737
0.7412 Intermediate Similarity NPC474253
0.7412 Intermediate Similarity NPC474284
0.7407 Intermediate Similarity NPC293223
0.7386 Intermediate Similarity NPC309656
0.7386 Intermediate Similarity NPC476379
0.7381 Intermediate Similarity NPC473257
0.7381 Intermediate Similarity NPC73515
0.7363 Intermediate Similarity NPC476722
0.7349 Intermediate Similarity NPC81074
0.7349 Intermediate Similarity NPC477282
0.7333 Intermediate Similarity NPC8729
0.7326 Intermediate Similarity NPC65133
0.7326 Intermediate Similarity NPC473299
0.7326 Intermediate Similarity NPC477434
0.7317 Intermediate Similarity NPC474574
0.7317 Intermediate Similarity NPC133596
0.7317 Intermediate Similarity NPC212453
0.7317 Intermediate Similarity NPC64081
0.7317 Intermediate Similarity NPC11907
0.7312 Intermediate Similarity NPC111348
0.7273 Intermediate Similarity NPC239938
0.7262 Intermediate Similarity NPC186588
0.7241 Intermediate Similarity NPC477445
0.7234 Intermediate Similarity NPC470067
0.7234 Intermediate Similarity NPC470066
0.7229 Intermediate Similarity NPC177343
0.7229 Intermediate Similarity NPC471045
0.7229 Intermediate Similarity NPC272841
0.7229 Intermediate Similarity NPC264610
0.7222 Intermediate Similarity NPC18536
0.7222 Intermediate Similarity NPC50443
0.7222 Intermediate Similarity NPC470114
0.7209 Intermediate Similarity NPC67158
0.7209 Intermediate Similarity NPC30102
0.7209 Intermediate Similarity NPC128816
0.7204 Intermediate Similarity NPC116683
0.7204 Intermediate Similarity NPC237071
0.7204 Intermediate Similarity NPC203434
0.7204 Intermediate Similarity NPC238796
0.7204 Intermediate Similarity NPC156377
0.7195 Intermediate Similarity NPC107963
0.7176 Intermediate Similarity NPC475743
0.7174 Intermediate Similarity NPC470424
0.7174 Intermediate Similarity NPC476716
0.7174 Intermediate Similarity NPC191915
0.7174 Intermediate Similarity NPC151214
0.716 Intermediate Similarity NPC55508
0.716 Intermediate Similarity NPC308489
0.716 Intermediate Similarity NPC166250
0.716 Intermediate Similarity NPC74639
0.7159 Intermediate Similarity NPC474008
0.7159 Intermediate Similarity NPC322922
0.7159 Intermediate Similarity NPC321812
0.7158 Intermediate Similarity NPC272223
0.7143 Intermediate Similarity NPC220379
0.7143 Intermediate Similarity NPC165180
0.7143 Intermediate Similarity NPC219516
0.7111 Intermediate Similarity NPC477443
0.7111 Intermediate Similarity NPC477440
0.7108 Intermediate Similarity NPC171658
0.7108 Intermediate Similarity NPC307865
0.7105 Intermediate Similarity NPC476702
0.7097 Intermediate Similarity NPC21897
0.7097 Intermediate Similarity NPC86893
0.7097 Intermediate Similarity NPC57964
0.7097 Intermediate Similarity NPC292178
0.7097 Intermediate Similarity NPC94582
0.7093 Intermediate Similarity NPC475388
0.7093 Intermediate Similarity NPC164289
0.7093 Intermediate Similarity NPC242771
0.7093 Intermediate Similarity NPC100366
0.7093 Intermediate Similarity NPC311642
0.7089 Intermediate Similarity NPC470833
0.7079 Intermediate Similarity NPC210658
0.7079 Intermediate Similarity NPC161928
0.7073 Intermediate Similarity NPC91387
0.7073 Intermediate Similarity NPC270306
0.7073 Intermediate Similarity NPC231680
0.7059 Intermediate Similarity NPC117137
0.7059 Intermediate Similarity NPC16449
0.7059 Intermediate Similarity NPC475456
0.7059 Intermediate Similarity NPC66766
0.7053 Intermediate Similarity NPC471375

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476719 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
0.7215 Intermediate Similarity NPD7532 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD3670 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD3669 Approved
0.7105 Intermediate Similarity NPD371 Approved
0.6951 Remote Similarity NPD1810 Approved
0.6951 Remote Similarity NPD1811 Approved
0.679 Remote Similarity NPD2687 Approved
0.679 Remote Similarity NPD2254 Approved
0.679 Remote Similarity NPD2686 Approved
0.6667 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6628 Remote Similarity NPD6115 Approved
0.6628 Remote Similarity NPD6114 Approved
0.6628 Remote Similarity NPD6697 Approved
0.6628 Remote Similarity NPD6118 Approved
0.6591 Remote Similarity NPD1779 Approved
0.6591 Remote Similarity NPD1780 Approved
0.6512 Remote Similarity NPD6116 Phase 1
0.64 Remote Similarity NPD1700 Approved
0.6395 Remote Similarity NPD6117 Approved
0.6354 Remote Similarity NPD8171 Discontinued
0.6292 Remote Similarity NPD6928 Phase 2
0.6238 Remote Similarity NPD5344 Discontinued
0.619 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6163 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6132 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6058 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5981 Remote Similarity NPD8132 Clinical (unspecified phase)
0.598 Remote Similarity NPD6648 Approved
0.5926 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5918 Remote Similarity NPD8034 Phase 2
0.5918 Remote Similarity NPD8035 Phase 2
0.5915 Remote Similarity NPD386 Approved
0.5915 Remote Similarity NPD388 Approved
0.5909 Remote Similarity NPD3702 Approved
0.5909 Remote Similarity NPD8133 Approved
0.5909 Remote Similarity NPD3703 Phase 2
0.5882 Remote Similarity NPD7638 Approved
0.5882 Remote Similarity NPD4225 Approved
0.5854 Remote Similarity NPD7909 Approved
0.5841 Remote Similarity NPD7327 Approved
0.5841 Remote Similarity NPD7328 Approved
0.5833 Remote Similarity NPD384 Approved
0.5833 Remote Similarity NPD385 Approved
0.5825 Remote Similarity NPD7640 Approved
0.5825 Remote Similarity NPD7639 Approved
0.5789 Remote Similarity NPD7516 Approved
0.5747 Remote Similarity NPD5777 Approved
0.5747 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5747 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5739 Remote Similarity NPD8294 Approved
0.5739 Remote Similarity NPD8377 Approved
0.5714 Remote Similarity NPD3730 Approved
0.5714 Remote Similarity NPD3728 Approved
0.5714 Remote Similarity NPD7632 Discontinued
0.5714 Remote Similarity NPD4802 Phase 2
0.5714 Remote Similarity NPD4238 Approved
0.5698 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5698 Remote Similarity NPD3699 Clinical (unspecified phase)
0.569 Remote Similarity NPD8296 Approved
0.569 Remote Similarity NPD8335 Approved
0.569 Remote Similarity NPD8033 Approved
0.569 Remote Similarity NPD8380 Approved
0.569 Remote Similarity NPD8378 Approved
0.569 Remote Similarity NPD8379 Approved
0.5664 Remote Similarity NPD6940 Discontinued
0.5657 Remote Similarity NPD3168 Discontinued
0.5648 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5632 Remote Similarity NPD4787 Phase 1
0.5625 Remote Similarity NPD4632 Approved
0.5625 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5614 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5603 Remote Similarity NPD6319 Approved

Structure

External Identifiers

PubChem CID   44566428
ChEMBL   CHEMBL522949
ZINC  

Physicochemical Properties

Molecular Weight:  410.27
ALogP:  -1.1482
MLogP:  3.33
XLogP:  2.616
# Rotatable Bonds:  10
Polar Surface Area:  74.22
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  29

Download Data

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Similar NPs/Drugs