Natural Product: NPC105249

Natural Product ID:  NPC105249
Common Name:   Furospongolide
IUPAC Name:   3-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]-2H-furan-5-one
Synonyms:   Furospongolide
Molecular Formula:   C21H28O3
Standard InCHIKey:  WCHKEOQZUQGPSS-ZTRBTYSCSA-N
Standard InCHI:  InChI=1S/C21H28O3/c1-17(8-4-10-19-12-13-23-15-19)6-3-7-18(2)9-5-11-20-14-21(22)24-16-20/h7-8,12-15H,3-6,9-11,16H2,1-2H3/b17-8+,18-7+
Canonical SMILES:  C/C(=CCC/C(=C/CCc1cocc1)/C)/CCCC1=CC(=O)OC1
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
NPO33257 lendenfeldia sp. Species Thorectidae Eukaryota PMID[18989978]
NPO6350 Spongia officinalis Species Spongiidae Eukaryota PMID[21548580]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 2900 nM 18989978
NPT2 Others Unspecified IC50 = 10900 nM 18989978
NPT396 Cell Line T47D Homo sapiens IC50 = 14000 nM 18989978
NPT83 Cell Line MCF7 Homo sapiens IC50 = 29000 nM 18989978
NPT2 Others Unspecified IC50 > 30000 nM 18989978
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 30000 nM 18989978
NPT396 Cell Line T47D Homo sapiens IC50 > 30000 nM 18989978
NPT306 Cell Line PC-3 Homo sapiens IC50 > 30000 nM 18989978
NPT83 Cell Line MCF7 Homo sapiens IC50 > 30000 nM 18989978
NPT2 Others Unspecified Inhibition = 97 % 18989978
NPT396 Cell Line T47D Homo sapiens Inhibition = 26 % 18989978
NPT396 Cell Line T47D Homo sapiens Inhibition = 38 % 18989978

  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 NPC105249 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
0.9519 High Similarity NPC471521
0.9519 High Similarity NPC473356
0.9273 High Similarity NPC131801
0.9167 High Similarity NPC26157
0.9167 High Similarity NPC1811
0.9107 High Similarity NPC473969
0.9099 High Similarity NPC144745
0.9099 High Similarity NPC208906
0.8957 High Similarity NPC476351
0.8947 High Similarity NPC474136
0.8938 High Similarity NPC4898
0.8919 High Similarity NPC28054
0.8889 High Similarity NPC177331
0.887 High Similarity NPC289911
0.887 High Similarity NPC283284
0.886 High Similarity NPC474817
0.8803 High Similarity NPC71274
0.8803 High Similarity NPC75557
0.8793 High Similarity NPC475818
0.8729 High Similarity NPC329922
0.8729 High Similarity NPC329694
0.8729 High Similarity NPC474260
0.8729 High Similarity NPC81912
0.8684 High Similarity NPC187547
0.8684 High Similarity NPC21831
0.8655 High Similarity NPC476016
0.8632 High Similarity NPC16922
0.8621 High Similarity NPC1848
0.8583 High Similarity NPC474438
0.8583 High Similarity NPC474279
0.8559 High Similarity NPC65735
0.8559 High Similarity NPC243269
0.8559 High Similarity NPC188377
0.8522 High Similarity NPC243704
0.85 High Similarity NPC137570
0.8487 Intermediate Similarity NPC474829
0.8487 Intermediate Similarity NPC471559
0.8487 Intermediate Similarity NPC179354
0.8435 Intermediate Similarity NPC227660
0.8421 Intermediate Similarity NPC205523
0.8421 Intermediate Similarity NPC150895
0.8417 Intermediate Similarity NPC46536
0.8417 Intermediate Similarity NPC74612
0.8417 Intermediate Similarity NPC138139
0.8348 Intermediate Similarity NPC45536
0.8347 Intermediate Similarity NPC319140
0.8347 Intermediate Similarity NPC471554
0.8347 Intermediate Similarity NPC473355
0.8347 Intermediate Similarity NPC471501
0.8347 Intermediate Similarity NPC95567
0.8347 Intermediate Similarity NPC471573
0.8347 Intermediate Similarity NPC83178
0.8347 Intermediate Similarity NPC474830
0.8279 Intermediate Similarity NPC207294
0.8279 Intermediate Similarity NPC112706
0.8276 Intermediate Similarity NPC312525
0.8276 Intermediate Similarity NPC217180
0.8235 Intermediate Similarity NPC477967
0.8235 Intermediate Similarity NPC471549
0.8235 Intermediate Similarity NPC317217
0.8235 Intermediate Similarity NPC473379
0.8226 Intermediate Similarity NPC298190
0.8226 Intermediate Similarity NPC17681
0.819 Intermediate Similarity NPC476031
0.819 Intermediate Similarity NPC476014
0.816 Intermediate Similarity NPC97740
0.816 Intermediate Similarity NPC45358
0.8115 Intermediate Similarity NPC216810
0.811 Intermediate Similarity NPC14650
0.8099 Intermediate Similarity NPC477965
0.8099 Intermediate Similarity NPC477038
0.8099 Intermediate Similarity NPC118853
0.8083 Intermediate Similarity NPC263870
0.808 Intermediate Similarity NPC89133
0.808 Intermediate Similarity NPC475092
0.8036 Intermediate Similarity NPC140688
0.8031 Intermediate Similarity NPC288209
0.8017 Intermediate Similarity NPC292036
0.8016 Intermediate Similarity NPC471817
0.8 Intermediate Similarity NPC79557
0.8 Intermediate Similarity NPC21460
0.8 Intermediate Similarity NPC22678
0.7984 Intermediate Similarity NPC170604
0.7984 Intermediate Similarity NPC215109
0.7983 Intermediate Similarity NPC137710
0.7983 Intermediate Similarity NPC244862
0.7983 Intermediate Similarity NPC67345
0.7969 Intermediate Similarity NPC92941
0.7967 Intermediate Similarity NPC23086
0.7953 Intermediate Similarity NPC474426
0.7953 Intermediate Similarity NPC474425
0.7953 Intermediate Similarity NPC470740
0.7953 Intermediate Similarity NPC474407
0.7946 Intermediate Similarity NPC42471
0.7937 Intermediate Similarity NPC136340
0.7934 Intermediate Similarity NPC36255
0.7907 Intermediate Similarity NPC146872
0.7899 Intermediate Similarity NPC254958
0.7899 Intermediate Similarity NPC293424
0.7899 Intermediate Similarity NPC291619
0.7846 Intermediate Similarity NPC470742
0.784 Intermediate Similarity NPC476917
0.784 Intermediate Similarity NPC477040
0.784 Intermediate Similarity NPC477123
0.784 Intermediate Similarity NPC327527
0.784 Intermediate Similarity NPC477966
0.784 Intermediate Similarity NPC477039
0.7818 Intermediate Similarity NPC156768
0.7805 Intermediate Similarity NPC130275
0.7805 Intermediate Similarity NPC83115
0.7786 Intermediate Similarity NPC236532
0.776 Intermediate Similarity NPC141059
0.775 Intermediate Similarity NPC206007
0.7742 Intermediate Similarity NPC471074
0.7742 Intermediate Similarity NPC473885
0.7742 Intermediate Similarity NPC230979
0.7727 Intermediate Similarity NPC90953
0.7717 Intermediate Similarity NPC476925
0.7712 Intermediate Similarity NPC252004
0.771 Intermediate Similarity NPC307401
0.771 Intermediate Similarity NPC186626
0.771 Intermediate Similarity NPC310830
0.771 Intermediate Similarity NPC42400
0.7692 Intermediate Similarity NPC159786
0.768 Intermediate Similarity NPC83301
0.7674 Intermediate Similarity NPC471006
0.7669 Intermediate Similarity NPC56197
0.7667 Intermediate Similarity NPC212918
0.7656 Intermediate Similarity NPC61788
0.7652 Intermediate Similarity NPC476943
0.7652 Intermediate Similarity NPC220094
0.7647 Intermediate Similarity NPC11821
0.7642 Intermediate Similarity NPC174915
0.7642 Intermediate Similarity NPC270807
0.7638 Intermediate Similarity NPC208389
0.7634 Intermediate Similarity NPC303217
0.763 Intermediate Similarity NPC223415
0.76 Intermediate Similarity NPC221798
0.7597 Intermediate Similarity NPC471545
0.7597 Intermediate Similarity NPC473982
0.7597 Intermediate Similarity NPC471544
0.7597 Intermediate Similarity NPC473344
0.7594 Intermediate Similarity NPC202260
0.7583 Intermediate Similarity NPC76844
0.7583 Intermediate Similarity NPC474987
0.7574 Intermediate Similarity NPC261733
0.7574 Intermediate Similarity NPC218712
0.7574 Intermediate Similarity NPC307346
0.7574 Intermediate Similarity NPC267004
0.7565 Intermediate Similarity NPC151530
0.7565 Intermediate Similarity NPC157473
0.7561 Intermediate Similarity NPC97566
0.7561 Intermediate Similarity NPC115859
0.754 Intermediate Similarity NPC52035
0.7538 Intermediate Similarity NPC218838
0.7538 Intermediate Similarity NPC293253
0.7521 Intermediate Similarity NPC217423
0.7521 Intermediate Similarity NPC45104
0.7519 Intermediate Similarity NPC282230
0.7519 Intermediate Similarity NPC183348
0.75 Intermediate Similarity NPC470741
0.75 Intermediate Similarity NPC120836
0.75 Intermediate Similarity NPC267632
0.75 Intermediate Similarity NPC59502
0.75 Intermediate Similarity NPC198904
0.75 Intermediate Similarity NPC80635
0.75 Intermediate Similarity NPC223063
0.7481 Intermediate Similarity NPC20500
0.7481 Intermediate Similarity NPC106247
0.748 Intermediate Similarity NPC230951
0.7479 Intermediate Similarity NPC53953
0.7478 Intermediate Similarity NPC176971
0.7463 Intermediate Similarity NPC474615
0.7463 Intermediate Similarity NPC107571
0.7462 Intermediate Similarity NPC15083
0.7462 Intermediate Similarity NPC196979
0.7462 Intermediate Similarity NPC470977
0.7462 Intermediate Similarity NPC470976
0.7459 Intermediate Similarity NPC87466
0.7458 Intermediate Similarity NPC277525
0.7458 Intermediate Similarity NPC57879
0.7458 Intermediate Similarity NPC54626
0.7455 Intermediate Similarity NPC146316
0.7445 Intermediate Similarity NPC199044
0.7445 Intermediate Similarity NPC238843
0.7445 Intermediate Similarity NPC251865
0.7444 Intermediate Similarity NPC286130
0.7442 Intermediate Similarity NPC66246
0.7442 Intermediate Similarity NPC170546
0.744 Intermediate Similarity NPC69403
0.744 Intermediate Similarity NPC272899
0.744 Intermediate Similarity NPC291189
0.7438 Intermediate Similarity NPC470860
0.7438 Intermediate Similarity NPC59035
0.7438 Intermediate Similarity NPC316062
0.7438 Intermediate Similarity NPC79202
0.7426 Intermediate Similarity NPC121158
0.7424 Intermediate Similarity NPC158525
0.7424 Intermediate Similarity NPC476947
0.7407 Intermediate Similarity NPC148374

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC105249 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
0.7364 Intermediate Similarity NPD6832 Phase 2
0.7333 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1241 Discontinued
0.7328 Intermediate Similarity NPD3134 Approved
0.7209 Intermediate Similarity NPD1019 Discontinued
0.7165 Intermediate Similarity NPD9717 Approved
0.7119 Intermediate Similarity NPD1358 Approved
0.7083 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.6984 Remote Similarity NPD5585 Approved
0.6963 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1238 Approved
0.6953 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6949 Remote Similarity NPD9697 Approved
0.6917 Remote Similarity NPD2182 Approved
0.6905 Remote Similarity NPD9545 Approved
0.687 Remote Similarity NPD1203 Approved
0.6838 Remote Similarity NPD1933 Approved
0.6831 Remote Similarity NPD643 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1778 Approved
0.6772 Remote Similarity NPD1894 Discontinued
0.6769 Remote Similarity NPD3972 Approved
0.6765 Remote Similarity NPD4307 Phase 2
0.6765 Remote Similarity NPD3142 Approved
0.6765 Remote Similarity NPD3140 Approved
0.6763 Remote Similarity NPD1551 Phase 2
0.6759 Remote Similarity NPD920 Approved
0.6746 Remote Similarity NPD9493 Approved
0.6744 Remote Similarity NPD3496 Discontinued
0.6742 Remote Similarity NPD2797 Approved
0.6738 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6736 Remote Similarity NPD642 Clinical (unspecified phase)
0.6718 Remote Similarity NPD4359 Approved
0.6694 Remote Similarity NPD5535 Approved
0.6693 Remote Similarity NPD9092 Discovery
0.6691 Remote Similarity NPD2799 Discontinued
0.669 Remote Similarity NPD4628 Phase 3
0.6667 Remote Similarity NPD1876 Approved
0.6667 Remote Similarity NPD17 Approved
0.6643 Remote Similarity NPD3887 Approved
0.662 Remote Similarity NPD1243 Approved
0.6618 Remote Similarity NPD2313 Discontinued
0.6618 Remote Similarity NPD411 Approved
0.6617 Remote Similarity NPD3267 Approved
0.6617 Remote Similarity NPD3266 Approved
0.66 Remote Similarity NPD5760 Phase 2
0.66 Remote Similarity NPD5761 Phase 2
0.6596 Remote Similarity NPD2344 Approved
0.6594 Remote Similarity NPD447 Suspended
0.6589 Remote Similarity NPD5691 Approved
0.6583 Remote Similarity NPD164 Approved
0.6575 Remote Similarity NPD6273 Approved
0.6571 Remote Similarity NPD4308 Phase 3
0.6567 Remote Similarity NPD2798 Approved
0.6552 Remote Similarity NPD6799 Approved
0.6525 Remote Similarity NPD2796 Approved
0.6519 Remote Similarity NPD9494 Approved
0.6515 Remote Similarity NPD1608 Approved
0.6504 Remote Similarity NPD2684 Approved
0.6496 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6496 Remote Similarity NPD6798 Discontinued
0.6496 Remote Similarity NPD3268 Approved
0.6493 Remote Similarity NPD6362 Approved
0.6483 Remote Similarity NPD7440 Discontinued
0.6479 Remote Similarity NPD2353 Approved
0.6479 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6479 Remote Similarity NPD1471 Phase 3
0.6475 Remote Similarity NPD4622 Approved
0.6475 Remote Similarity NPD4618 Approved
0.6475 Remote Similarity NPD6355 Discontinued
0.6463 Remote Similarity NPD2186 Approved
0.6454 Remote Similarity NPD3748 Approved
0.6452 Remote Similarity NPD2067 Discontinued
0.6449 Remote Similarity NPD4062 Phase 3
0.6449 Remote Similarity NPD6233 Phase 2
0.6447 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5647 Approved
0.6429 Remote Similarity NPD919 Approved
0.6419 Remote Similarity NPD3873 Phase 3
0.6419 Remote Similarity NPD3869 Phase 3
0.6418 Remote Similarity NPD3225 Approved
0.6414 Remote Similarity NPD2309 Approved
0.6408 Remote Similarity NPD2935 Discontinued
0.6397 Remote Similarity NPD454 Approved
0.6391 Remote Similarity NPD1481 Phase 2
0.6383 Remote Similarity NPD5688 Approved
0.6383 Remote Similarity NPD5689 Approved
0.6364 Remote Similarity NPD6002 Phase 3
0.6364 Remote Similarity NPD9261 Approved
0.6364 Remote Similarity NPD2346 Discontinued
0.6364 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6004 Phase 3
0.6364 Remote Similarity NPD6005 Phase 3
0.6364 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3847 Discontinued
0.6339 Remote Similarity NPD9259 Approved
0.6339 Remote Similarity NPD9257 Approved
0.6338 Remote Similarity NPD7033 Discontinued
0.6331 Remote Similarity NPD4870 Approved
0.6331 Remote Similarity NPD8032 Phase 2
0.6328 Remote Similarity NPD690 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6316 Remote Similarity NPD1535 Discovery
0.6316 Remote Similarity NPD1281 Approved
0.6316 Remote Similarity NPD6280 Approved
0.6316 Remote Similarity NPD6279 Approved
0.6312 Remote Similarity NPD6653 Approved
0.6309 Remote Similarity NPD5403 Approved
0.6308 Remote Similarity NPD5536 Phase 2
0.6306 Remote Similarity NPD6808 Phase 2
0.6301 Remote Similarity NPD2354 Approved
0.6299 Remote Similarity NPD7843 Approved
0.6294 Remote Similarity NPD4477 Approved
0.6294 Remote Similarity NPD4476 Approved
0.6291 Remote Similarity NPD6599 Discontinued
0.629 Remote Similarity NPD290 Approved
0.6288 Remote Similarity NPD4626 Approved
0.6286 Remote Similarity NPD2979 Phase 3
0.6284 Remote Similarity NPD5401 Approved
0.6259 Remote Similarity NPD3764 Approved
0.625 Remote Similarity NPD7411 Suspended
0.6239 Remote Similarity NPD1202 Approved
0.6233 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6233 Remote Similarity NPD7003 Approved
0.6233 Remote Similarity NPD3750 Approved
0.6232 Remote Similarity NPD2614 Approved
0.6225 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6218 Remote Similarity NPD5537 Clinical (unspecified phase)
0.621 Remote Similarity NPD968 Approved
0.6207 Remote Similarity NPD2897 Discontinued
0.62 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6196 Remote Similarity NPD6765 Approved
0.6196 Remote Similarity NPD6764 Approved
0.6194 Remote Similarity NPD422 Phase 1
0.6187 Remote Similarity NPD5163 Phase 2
0.6187 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6181 Remote Similarity NPD2239 Approved
0.6181 Remote Similarity NPD2240 Approved
0.6176 Remote Similarity NPD1283 Approved
0.6174 Remote Similarity NPD4662 Approved
0.6174 Remote Similarity NPD4661 Approved
0.6172 Remote Similarity NPD821 Approved
0.6169 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6169 Remote Similarity NPD7819 Suspended
0.6169 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6165 Remote Similarity NPD3412 Clinical (unspecified phase)
0.616 Remote Similarity NPD9267 Approved
0.616 Remote Similarity NPD9265 Clinical (unspecified phase)
0.616 Remote Similarity NPD9263 Approved
0.616 Remote Similarity NPD9264 Approved
0.6159 Remote Similarity NPD957 Approved
0.6154 Remote Similarity NPD7157 Approved
0.6149 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6144 Remote Similarity NPD5889 Approved
0.6144 Remote Similarity NPD5890 Approved
0.6143 Remote Similarity NPD1296 Phase 2
0.6138 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6133 Remote Similarity NPD5049 Phase 3
0.6122 Remote Similarity NPD4110 Phase 3
0.6122 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6121 Remote Similarity NPD9256 Approved
0.6121 Remote Similarity NPD9258 Approved
0.6111 Remote Similarity NPD74 Approved
0.6111 Remote Similarity NPD9266 Approved
0.6104 Remote Similarity NPD6801 Discontinued
0.6101 Remote Similarity NPD5668 Clinical (unspecified phase)
0.6098 Remote Similarity NPD6559 Discontinued
0.6096 Remote Similarity NPD1549 Phase 2
0.6096 Remote Similarity NPD5958 Discontinued
0.6096 Remote Similarity NPD4534 Discontinued
0.6094 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6093 Remote Similarity NPD1670 Discontinued
0.6093 Remote Similarity NPD5586 Clinical (unspecified phase)
0.609 Remote Similarity NPD1651 Approved
0.609 Remote Similarity NPD7768 Phase 2
0.6087 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6074 Remote Similarity NPD6287 Discontinued
0.6071 Remote Similarity NPD5746 Approved
0.6071 Remote Similarity NPD7095 Approved
0.6071 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6069 Remote Similarity NPD2438 Suspended
0.6069 Remote Similarity NPD2531 Phase 2
0.6058 Remote Similarity NPD2198 Approved
0.6058 Remote Similarity NPD2199 Approved
0.6056 Remote Similarity NPD4140 Approved
0.6056 Remote Similarity NPD1240 Approved
0.6054 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6051 Remote Similarity NPD3749 Approved
0.6051 Remote Similarity NPD7075 Discontinued
0.6048 Remote Similarity NPD6784 Approved
0.6048 Remote Similarity NPD6785 Approved
0.6043 Remote Similarity NPD2237 Approved
0.6042 Remote Similarity NPD7097 Phase 1
0.6042 Remote Similarity NPD743 Approved
0.6039 Remote Similarity NPD958 Approved
0.6039 Remote Similarity NPD6386 Approved
0.6039 Remote Similarity NPD6385 Approved
0.6038 Remote Similarity NPD1247 Approved
0.6031 Remote Similarity NPD2557 Approved
0.6028 Remote Similarity NPD3374 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   21637526
ChEMBL   CHEMBL1077108
ZINC  

Physicochemical Properties

Molecular Weight:  328.20
ALogP:  2.2331
MLogP:  3.44
XLogP:  5.057
# Rotatable Bonds:  12
Polar Surface Area:  39.44
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  24

Download Data

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Biological Activities  
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