Natural Product: NPC476704

Natural Product ID:  NPC476704
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O4
Standard InCHIKey:  HFYSQTZIFVBRTC-GAYXFKQASA-N
Standard InCHI:  InChI=1S/C20H32O4/c1-14(2)20-11-10-18(3,24-20)16(22)8-7-15(13-21)6-5-9-19(4)17(12-20)23-19/h6,13-14,16-17,22H,5,7-12H2,1-4H3/b15-6-/t16-,17-,18-,19-,20+/m1/s1
Canonical SMILES:  O=C/C/1=CCC[C@@]2(C)O[C@@H]2C[C@]2(O[C@]([C@@H](CC1)O)(C)CC2)C(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
NPO15315 Boswellia carterii Species Burseraceae Eukaryota Gum resin PMID[26457560]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Survival = 87 % 26457560
NPT3972 Individual Protein X-box-binding protein 1 Rattus norvegicus FC = 1.6 26457560
NPT3972 Individual Protein X-box-binding protein 1 Rattus norvegicus EC50 = 1140 nM 26457560

  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 NPC476704 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
0.907 High Similarity NPC476706
0.907 High Similarity NPC476707
0.8764 High Similarity NPC476705
0.8462 Intermediate Similarity NPC212486
0.8353 Intermediate Similarity NPC472948
0.8352 Intermediate Similarity NPC184463
0.828 Intermediate Similarity NPC14961
0.828 Intermediate Similarity NPC270013
0.8222 Intermediate Similarity NPC476708
0.8191 Intermediate Similarity NPC476315
0.8172 Intermediate Similarity NPC474035
0.8172 Intermediate Similarity NPC81386
0.8171 Intermediate Similarity NPC476709
0.8152 Intermediate Similarity NPC30515
0.8132 Intermediate Similarity NPC307411
0.809 Intermediate Similarity NPC304509
0.809 Intermediate Similarity NPC47958
0.809 Intermediate Similarity NPC149725
0.8085 Intermediate Similarity NPC36954
0.8065 Intermediate Similarity NPC475912
0.8065 Intermediate Similarity NPC476300
0.8043 Intermediate Similarity NPC473448
0.8043 Intermediate Similarity NPC476004
0.8043 Intermediate Similarity NPC474761
0.8043 Intermediate Similarity NPC51004
0.8041 Intermediate Similarity NPC476270
0.8022 Intermediate Similarity NPC202672
0.8022 Intermediate Similarity NPC281516
0.8021 Intermediate Similarity NPC473326
0.8 Intermediate Similarity NPC476703
0.8 Intermediate Similarity NPC8803
0.7978 Intermediate Similarity NPC475963
0.7978 Intermediate Similarity NPC151176
0.7978 Intermediate Similarity NPC3464
0.7957 Intermediate Similarity NPC12172
0.7957 Intermediate Similarity NPC208886
0.7938 Intermediate Similarity NPC288876
0.7931 Intermediate Similarity NPC103634
0.7912 Intermediate Similarity NPC248602
0.79 Intermediate Similarity NPC243998
0.7872 Intermediate Similarity NPC179746
0.7872 Intermediate Similarity NPC81419
0.7865 Intermediate Similarity NPC11620
0.7865 Intermediate Similarity NPC1761
0.7865 Intermediate Similarity NPC52609
0.7849 Intermediate Similarity NPC475748
0.7835 Intermediate Similarity NPC474213
0.7812 Intermediate Similarity NPC279621
0.7812 Intermediate Similarity NPC473859
0.7805 Intermediate Similarity NPC261398
0.7802 Intermediate Similarity NPC474949
0.7802 Intermediate Similarity NPC475019
0.78 Intermediate Similarity NPC474741
0.7789 Intermediate Similarity NPC57405
0.7789 Intermediate Similarity NPC303942
0.7778 Intermediate Similarity NPC72464
0.7778 Intermediate Similarity NPC9868
0.7778 Intermediate Similarity NPC474747
0.7778 Intermediate Similarity NPC474780
0.7742 Intermediate Similarity NPC151770
0.7723 Intermediate Similarity NPC223450
0.7717 Intermediate Similarity NPC231889
0.7708 Intermediate Similarity NPC475659
0.77 Intermediate Similarity NPC472755
0.77 Intermediate Similarity NPC475871
0.77 Intermediate Similarity NPC475945
0.7692 Intermediate Similarity NPC137033
0.7692 Intermediate Similarity NPC329749
0.7684 Intermediate Similarity NPC475838
0.7684 Intermediate Similarity NPC295204
0.7684 Intermediate Similarity NPC61275
0.7684 Intermediate Similarity NPC125674
0.7684 Intermediate Similarity NPC228451
0.7684 Intermediate Similarity NPC288240
0.7684 Intermediate Similarity NPC162205
0.7684 Intermediate Similarity NPC273579
0.7677 Intermediate Similarity NPC472753
0.766 Intermediate Similarity NPC473619
0.766 Intermediate Similarity NPC478003
0.766 Intermediate Similarity NPC158388
0.766 Intermediate Similarity NPC478004
0.7647 Intermediate Similarity NPC477513
0.764 Intermediate Similarity NPC207188
0.7634 Intermediate Similarity NPC227379
0.7634 Intermediate Similarity NPC177629
0.7634 Intermediate Similarity NPC228415
0.7634 Intermediate Similarity NPC87189
0.7634 Intermediate Similarity NPC153805
0.7634 Intermediate Similarity NPC58219
0.7634 Intermediate Similarity NPC474471
0.7629 Intermediate Similarity NPC477921
0.7614 Intermediate Similarity NPC136033
0.7609 Intermediate Similarity NPC150755
0.7609 Intermediate Similarity NPC474762
0.7609 Intermediate Similarity NPC476015
0.7609 Intermediate Similarity NPC164393
0.7604 Intermediate Similarity NPC473316
0.7604 Intermediate Similarity NPC114162
0.7604 Intermediate Similarity NPC473330
0.7604 Intermediate Similarity NPC71589
0.7604 Intermediate Similarity NPC469819
0.7604 Intermediate Similarity NPC474247
0.76 Intermediate Similarity NPC472754
0.76 Intermediate Similarity NPC225353
0.7579 Intermediate Similarity NPC70251
0.7579 Intermediate Similarity NPC473321
0.7579 Intermediate Similarity NPC475881
0.7579 Intermediate Similarity NPC146852
0.7579 Intermediate Similarity NPC475441
0.7576 Intermediate Similarity NPC475053
0.7553 Intermediate Similarity NPC92974
0.7553 Intermediate Similarity NPC166919
0.7553 Intermediate Similarity NPC83423
0.7551 Intermediate Similarity NPC27105
0.7551 Intermediate Similarity NPC40812
0.7549 Intermediate Similarity NPC471333
0.7549 Intermediate Similarity NPC54737
0.7549 Intermediate Similarity NPC471332
0.7527 Intermediate Similarity NPC186148
0.7527 Intermediate Similarity NPC474765
0.7527 Intermediate Similarity NPC179659
0.7526 Intermediate Similarity NPC477922
0.7526 Intermediate Similarity NPC107476
0.7526 Intermediate Similarity NPC471141
0.7525 Intermediate Similarity NPC472747
0.7525 Intermediate Similarity NPC472750
0.7525 Intermediate Similarity NPC110989
0.75 Intermediate Similarity NPC475206
0.75 Intermediate Similarity NPC474742
0.75 Intermediate Similarity NPC164598
0.75 Intermediate Similarity NPC101067
0.75 Intermediate Similarity NPC207186
0.75 Intermediate Similarity NPC201718
0.75 Intermediate Similarity NPC476134
0.75 Intermediate Similarity NPC21469
0.75 Intermediate Similarity NPC474339
0.75 Intermediate Similarity NPC47880
0.75 Intermediate Similarity NPC471401
0.75 Intermediate Similarity NPC473332
0.7475 Intermediate Similarity NPC471331
0.7475 Intermediate Similarity NPC99657
0.7475 Intermediate Similarity NPC222303
0.7475 Intermediate Similarity NPC187761
0.7475 Intermediate Similarity NPC203388
0.7475 Intermediate Similarity NPC187268
0.7475 Intermediate Similarity NPC83895
0.7475 Intermediate Similarity NPC471330
0.7475 Intermediate Similarity NPC472687
0.7475 Intermediate Similarity NPC471144
0.7474 Intermediate Similarity NPC65359
0.7474 Intermediate Similarity NPC312042
0.7473 Intermediate Similarity NPC108045
0.7473 Intermediate Similarity NPC475622
0.7473 Intermediate Similarity NPC272814
0.7473 Intermediate Similarity NPC257358
0.7473 Intermediate Similarity NPC474472
0.7451 Intermediate Similarity NPC203659
0.7451 Intermediate Similarity NPC100487
0.7451 Intermediate Similarity NPC470838
0.7451 Intermediate Similarity NPC472748
0.7449 Intermediate Similarity NPC230800
0.7449 Intermediate Similarity NPC93271
0.7449 Intermediate Similarity NPC135576
0.7447 Intermediate Similarity NPC309656
0.7447 Intermediate Similarity NPC89001
0.7426 Intermediate Similarity NPC86077
0.7426 Intermediate Similarity NPC471148
0.7426 Intermediate Similarity NPC149371
0.7426 Intermediate Similarity NPC324017
0.7426 Intermediate Similarity NPC320019
0.7423 Intermediate Similarity NPC67831
0.7423 Intermediate Similarity NPC476267
0.7423 Intermediate Similarity NPC174051
0.7419 Intermediate Similarity NPC470242
0.7419 Intermediate Similarity NPC112685
0.7419 Intermediate Similarity NPC122502
0.7416 Intermediate Similarity NPC476701
0.7416 Intermediate Similarity NPC261125
0.7416 Intermediate Similarity NPC181195
0.7404 Intermediate Similarity NPC473288
0.74 Intermediate Similarity NPC475949
0.7396 Intermediate Similarity NPC470373
0.7396 Intermediate Similarity NPC469627
0.7396 Intermediate Similarity NPC470379
0.7391 Intermediate Similarity NPC243618
0.7391 Intermediate Similarity NPC163093
0.7391 Intermediate Similarity NPC472958
0.7391 Intermediate Similarity NPC472957
0.7391 Intermediate Similarity NPC70424
0.7381 Intermediate Similarity NPC16964
0.7379 Intermediate Similarity NPC472751
0.7379 Intermediate Similarity NPC472749
0.7368 Intermediate Similarity NPC295312
0.7368 Intermediate Similarity NPC474032
0.7368 Intermediate Similarity NPC280612
0.7368 Intermediate Similarity NPC473564
0.7368 Intermediate Similarity NPC477017
0.7368 Intermediate Similarity NPC477016
0.7363 Intermediate Similarity NPC474291
0.7356 Intermediate Similarity NPC472256

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476704 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
0.766 Intermediate Similarity NPD46 Approved
0.766 Intermediate Similarity NPD6698 Approved
0.7312 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7838 Discovery
0.7216 Intermediate Similarity NPD7983 Approved
0.7174 Intermediate Similarity NPD6435 Approved
0.7143 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6371 Approved
0.7071 Intermediate Similarity NPD5282 Discontinued
0.7 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.6957 Remote Similarity NPD5368 Approved
0.6916 Remote Similarity NPD6686 Approved
0.6837 Remote Similarity NPD1695 Approved
0.6827 Remote Similarity NPD5344 Discontinued
0.6824 Remote Similarity NPD7331 Phase 2
0.6822 Remote Similarity NPD6412 Phase 2
0.68 Remote Similarity NPD5778 Approved
0.68 Remote Similarity NPD5779 Approved
0.6706 Remote Similarity NPD7341 Phase 2
0.6696 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD6101 Approved
0.6636 Remote Similarity NPD4634 Approved
0.6607 Remote Similarity NPD4632 Approved
0.6606 Remote Similarity NPD6899 Approved
0.6606 Remote Similarity NPD6881 Approved
0.6581 Remote Similarity NPD6370 Approved
0.6574 Remote Similarity NPD5739 Approved
0.6574 Remote Similarity NPD7128 Approved
0.6574 Remote Similarity NPD6675 Approved
0.6574 Remote Similarity NPD6402 Approved
0.6571 Remote Similarity NPD5286 Approved
0.6571 Remote Similarity NPD5285 Approved
0.6571 Remote Similarity NPD4696 Approved
0.6562 Remote Similarity NPD6110 Phase 1
0.6562 Remote Similarity NPD7154 Phase 3
0.6555 Remote Similarity NPD7507 Approved
0.6552 Remote Similarity NPD6319 Approved
0.6552 Remote Similarity NPD6059 Approved
0.6545 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4755 Approved
0.6535 Remote Similarity NPD6079 Approved
0.6535 Remote Similarity NPD6411 Approved
0.6526 Remote Similarity NPD5369 Approved
0.6522 Remote Similarity NPD7641 Discontinued
0.6518 Remote Similarity NPD6053 Discontinued
0.6514 Remote Similarity NPD5697 Approved
0.65 Remote Similarity NPD5328 Approved
0.6496 Remote Similarity NPD6016 Approved
0.6496 Remote Similarity NPD6015 Approved
0.6486 Remote Similarity NPD7102 Approved
0.6486 Remote Similarity NPD6883 Approved
0.6486 Remote Similarity NPD7290 Approved
0.6476 Remote Similarity NPD4225 Approved
0.6471 Remote Similarity NPD7492 Approved
0.6465 Remote Similarity NPD7524 Approved
0.6465 Remote Similarity NPD4250 Approved
0.6465 Remote Similarity NPD4251 Approved
0.6458 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6455 Remote Similarity NPD7320 Approved
0.6449 Remote Similarity NPD5211 Phase 2
0.6449 Remote Similarity NPD5225 Approved
0.6449 Remote Similarity NPD5226 Approved
0.6449 Remote Similarity NPD5224 Approved
0.6449 Remote Similarity NPD4633 Approved
0.6442 Remote Similarity NPD4697 Phase 3
0.6441 Remote Similarity NPD5988 Approved
0.6435 Remote Similarity NPD7115 Discovery
0.6429 Remote Similarity NPD6869 Approved
0.6429 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6617 Approved
0.6429 Remote Similarity NPD8130 Phase 1
0.6429 Remote Similarity NPD6650 Approved
0.6429 Remote Similarity NPD5363 Approved
0.6429 Remote Similarity NPD6649 Approved
0.6429 Remote Similarity NPD6847 Approved
0.6422 Remote Similarity NPD6008 Approved
0.6421 Remote Similarity NPD4822 Approved
0.6421 Remote Similarity NPD4820 Approved
0.6421 Remote Similarity NPD4819 Approved
0.6421 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6421 Remote Similarity NPD4821 Approved
0.6417 Remote Similarity NPD6616 Approved
0.6415 Remote Similarity NPD4700 Approved
0.6415 Remote Similarity NPD6648 Approved
0.6396 Remote Similarity NPD6372 Approved
0.6396 Remote Similarity NPD6373 Approved
0.6396 Remote Similarity NPD6013 Approved
0.6396 Remote Similarity NPD6014 Approved
0.6396 Remote Similarity NPD6012 Approved
0.6393 Remote Similarity NPD7319 Approved
0.6392 Remote Similarity NPD5362 Discontinued
0.6389 Remote Similarity NPD5174 Approved
0.6389 Remote Similarity NPD5175 Approved
0.6387 Remote Similarity NPD7604 Phase 2
0.6387 Remote Similarity NPD7642 Approved
0.6381 Remote Similarity NPD6083 Phase 2
0.6381 Remote Similarity NPD6084 Phase 2
0.6372 Remote Similarity NPD6882 Approved
0.6364 Remote Similarity NPD7078 Approved
0.6364 Remote Similarity NPD5786 Approved
0.6364 Remote Similarity NPD4249 Approved
0.6364 Remote Similarity NPD5701 Approved
0.6355 Remote Similarity NPD5223 Approved
0.6337 Remote Similarity NPD4753 Phase 2
0.633 Remote Similarity NPD5141 Approved
0.6327 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6327 Remote Similarity NPD3665 Phase 1
0.6327 Remote Similarity NPD3666 Approved
0.6327 Remote Similarity NPD3133 Approved
0.6321 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7736 Approved
0.6306 Remote Similarity NPD6011 Approved
0.6293 Remote Similarity NPD6009 Approved
0.6286 Remote Similarity NPD5221 Approved
0.6286 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6286 Remote Similarity NPD5222 Approved
0.6286 Remote Similarity NPD7839 Suspended
0.6275 Remote Similarity NPD5785 Approved
0.623 Remote Similarity NPD8293 Discontinued
0.6226 Remote Similarity NPD5173 Approved
0.6224 Remote Similarity NPD6695 Phase 3
0.6218 Remote Similarity NPD8513 Phase 3
0.6218 Remote Similarity NPD8515 Approved
0.6218 Remote Similarity NPD8516 Approved
0.6218 Remote Similarity NPD8517 Approved
0.6218 Remote Similarity NPD5983 Phase 2
0.6211 Remote Similarity NPD4268 Approved
0.6211 Remote Similarity NPD4271 Approved
0.6211 Remote Similarity NPD5784 Clinical (unspecified phase)
0.62 Remote Similarity NPD3618 Phase 1
0.62 Remote Similarity NPD5279 Phase 3
0.6195 Remote Similarity NPD5955 Clinical (unspecified phase)
0.619 Remote Similarity NPD4629 Approved
0.619 Remote Similarity NPD5210 Approved
0.619 Remote Similarity NPD5695 Phase 3
0.6168 Remote Similarity NPD7638 Approved
0.6162 Remote Similarity NPD4786 Approved
0.6161 Remote Similarity NPD4730 Approved
0.6161 Remote Similarity NPD4729 Approved
0.6161 Remote Similarity NPD5128 Approved
0.6154 Remote Similarity NPD4202 Approved
0.6154 Remote Similarity NPD6399 Phase 3
0.6148 Remote Similarity NPD6336 Discontinued
0.614 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6126 Remote Similarity NPD4767 Approved
0.6126 Remote Similarity NPD4768 Approved
0.6122 Remote Similarity NPD3667 Approved
0.6122 Remote Similarity NPD4270 Approved
0.6122 Remote Similarity NPD4269 Approved
0.6122 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6116 Remote Similarity NPD8328 Phase 3
0.6116 Remote Similarity NPD7830 Approved
0.6116 Remote Similarity NPD7829 Approved
0.6111 Remote Similarity NPD7640 Approved
0.6111 Remote Similarity NPD7639 Approved
0.61 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6095 Remote Similarity NPD7748 Approved
0.6091 Remote Similarity NPD4754 Approved
0.6082 Remote Similarity NPD4695 Discontinued
0.6075 Remote Similarity NPD7902 Approved
0.6068 Remote Similarity NPD6274 Approved
0.6058 Remote Similarity NPD7515 Phase 2
0.6053 Remote Similarity NPD5249 Phase 3
0.6053 Remote Similarity NPD5250 Approved
0.6053 Remote Similarity NPD5251 Approved
0.6053 Remote Similarity NPD5248 Approved
0.6053 Remote Similarity NPD5247 Approved
0.605 Remote Similarity NPD7101 Approved
0.605 Remote Similarity NPD7100 Approved
0.6048 Remote Similarity NPD6033 Approved
0.6047 Remote Similarity NPD7966 Clinical (unspecified phase)
0.604 Remote Similarity NPD5330 Approved
0.604 Remote Similarity NPD7334 Approved
0.604 Remote Similarity NPD6409 Approved
0.604 Remote Similarity NPD6684 Approved
0.604 Remote Similarity NPD7521 Approved
0.604 Remote Similarity NPD7146 Approved
0.6023 Remote Similarity NPD3197 Phase 1
0.6019 Remote Similarity NPD5696 Approved
0.6018 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6 Remote Similarity NPD5217 Approved
0.6 Remote Similarity NPD6933 Approved
0.6 Remote Similarity NPD5215 Approved
0.6 Remote Similarity NPD5216 Approved
0.598 Remote Similarity NPD7750 Discontinued
0.5968 Remote Similarity NPD8074 Phase 3
0.5966 Remote Similarity NPD6335 Approved
0.5962 Remote Similarity NPD3168 Discontinued
0.596 Remote Similarity NPD4221 Approved
0.596 Remote Similarity NPD4223 Phase 3
0.5955 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5329 Approved
0.5941 Remote Similarity NPD1694 Approved
0.5935 Remote Similarity NPD8342 Approved
0.5935 Remote Similarity NPD8340 Approved
0.5935 Remote Similarity NPD8341 Approved
0.5935 Remote Similarity NPD8299 Approved
0.5929 Remote Similarity NPD5954 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3634660
ZINC  

Physicochemical Properties

Molecular Weight:  336.23
ALogP:  0.8601
MLogP:  3.22
XLogP:  2.609
# Rotatable Bonds:  7
Polar Surface Area:  59.06
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  24

Download Data

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