Natural Product: NPC476707

Natural Product ID:  NPC476707
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O4
Standard InCHIKey:  FPSHEXYMLFPCLF-HPNWIXDZSA-N
Standard InCHI:  InChI=1S/C20H32O4/c1-13(2)20-10-9-18(4,24-20)16(22)11-15(21)14(3)7-6-8-19(5)17(12-20)23-19/h7,13,16-17,22H,6,8-12H2,1-5H3/b14-7+/t16-,17+,18-,19+,20+/m1/s1
Canonical SMILES:  O=C1C[C@@H](O)[C@@]2(C)CC[C@](O2)(C[C@H]2[C@@](CC/C=C/1C)(C)O2)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

  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 NPC476707 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 NPC476706
0.9647 High Similarity NPC476705
0.907 High Similarity NPC476708
0.907 High Similarity NPC476704
0.9024 High Similarity NPC472948
0.8261 Intermediate Similarity NPC212486
0.8229 Intermediate Similarity NPC474339
0.8229 Intermediate Similarity NPC164598
0.8171 Intermediate Similarity NPC476709
0.8163 Intermediate Similarity NPC474741
0.8152 Intermediate Similarity NPC184463
0.8144 Intermediate Similarity NPC474747
0.8125 Intermediate Similarity NPC288876
0.8085 Intermediate Similarity NPC270013
0.8085 Intermediate Similarity NPC14961
0.8061 Intermediate Similarity NPC475945
0.8061 Intermediate Similarity NPC475871
0.8043 Intermediate Similarity NPC473448
0.8041 Intermediate Similarity NPC476270
0.8 Intermediate Similarity NPC230800
0.8 Intermediate Similarity NPC476315
0.8 Intermediate Similarity NPC476703
0.8 Intermediate Similarity NPC473859
0.8 Intermediate Similarity NPC8803
0.8 Intermediate Similarity NPC279621
0.7979 Intermediate Similarity NPC474035
0.7979 Intermediate Similarity NPC469819
0.7979 Intermediate Similarity NPC81386
0.7979 Intermediate Similarity NPC114162
0.7959 Intermediate Similarity NPC471148
0.7959 Intermediate Similarity NPC225353
0.7957 Intermediate Similarity NPC30515
0.7935 Intermediate Similarity NPC307411
0.7917 Intermediate Similarity NPC27105
0.7907 Intermediate Similarity NPC218817
0.7907 Intermediate Similarity NPC11796
0.79 Intermediate Similarity NPC471332
0.79 Intermediate Similarity NPC471333
0.7895 Intermediate Similarity NPC475659
0.7895 Intermediate Similarity NPC36954
0.7879 Intermediate Similarity NPC110989
0.7879 Intermediate Similarity NPC472755
0.7872 Intermediate Similarity NPC476300
0.7872 Intermediate Similarity NPC475912
0.7872 Intermediate Similarity NPC469692
0.7872 Intermediate Similarity NPC469645
0.7872 Intermediate Similarity NPC475838
0.7872 Intermediate Similarity NPC228451
0.7872 Intermediate Similarity NPC125674
0.7857 Intermediate Similarity NPC47880
0.7857 Intermediate Similarity NPC201718
0.7857 Intermediate Similarity NPC474742
0.7857 Intermediate Similarity NPC101067
0.7857 Intermediate Similarity NPC472753
0.7857 Intermediate Similarity NPC476134
0.7849 Intermediate Similarity NPC478003
0.7849 Intermediate Similarity NPC65359
0.7849 Intermediate Similarity NPC158388
0.7849 Intermediate Similarity NPC478004
0.7849 Intermediate Similarity NPC51004
0.7835 Intermediate Similarity NPC471330
0.7835 Intermediate Similarity NPC203388
0.7835 Intermediate Similarity NPC471331
0.7835 Intermediate Similarity NPC472687
0.7835 Intermediate Similarity NPC473326
0.7835 Intermediate Similarity NPC99657
0.7826 Intermediate Similarity NPC228415
0.7826 Intermediate Similarity NPC87189
0.7826 Intermediate Similarity NPC201046
0.7826 Intermediate Similarity NPC202672
0.7822 Intermediate Similarity NPC477513
0.7812 Intermediate Similarity NPC93271
0.7812 Intermediate Similarity NPC135576
0.7805 Intermediate Similarity NPC477448
0.7805 Intermediate Similarity NPC477449
0.7802 Intermediate Similarity NPC469483
0.78 Intermediate Similarity NPC100487
0.78 Intermediate Similarity NPC472756
0.78 Intermediate Similarity NPC203659
0.7789 Intermediate Similarity NPC474247
0.7789 Intermediate Similarity NPC121825
0.7778 Intermediate Similarity NPC149371
0.7778 Intermediate Similarity NPC39996
0.7778 Intermediate Similarity NPC478176
0.7778 Intermediate Similarity NPC472754
0.7767 Intermediate Similarity NPC257240
0.7766 Intermediate Similarity NPC12172
0.7766 Intermediate Similarity NPC469627
0.7766 Intermediate Similarity NPC208886
0.7732 Intermediate Similarity NPC40812
0.7732 Intermediate Similarity NPC266842
0.7723 Intermediate Similarity NPC243998
0.7708 Intermediate Similarity NPC471141
0.7708 Intermediate Similarity NPC475900
0.77 Intermediate Similarity NPC475873
0.7692 Intermediate Similarity NPC304509
0.7692 Intermediate Similarity NPC149725
0.7692 Intermediate Similarity NPC47958
0.7684 Intermediate Similarity NPC295204
0.7684 Intermediate Similarity NPC61275
0.7684 Intermediate Similarity NPC288240
0.7684 Intermediate Similarity NPC179746
0.7684 Intermediate Similarity NPC162205
0.7684 Intermediate Similarity NPC81419
0.7684 Intermediate Similarity NPC273579
0.7677 Intermediate Similarity NPC185141
0.7677 Intermediate Similarity NPC473332
0.7677 Intermediate Similarity NPC46998
0.7677 Intermediate Similarity NPC128733
0.7677 Intermediate Similarity NPC110443
0.7677 Intermediate Similarity NPC133907
0.7677 Intermediate Similarity NPC181645
0.767 Intermediate Similarity NPC87335
0.767 Intermediate Similarity NPC477102
0.7667 Intermediate Similarity NPC108045
0.7667 Intermediate Similarity NPC475622
0.766 Intermediate Similarity NPC475748
0.766 Intermediate Similarity NPC476004
0.766 Intermediate Similarity NPC474761
0.7653 Intermediate Similarity NPC187268
0.7653 Intermediate Similarity NPC161855
0.7653 Intermediate Similarity NPC474213
0.7653 Intermediate Similarity NPC83895
0.7653 Intermediate Similarity NPC471144
0.7653 Intermediate Similarity NPC187761
0.7647 Intermediate Similarity NPC474421
0.7647 Intermediate Similarity NPC26617
0.7647 Intermediate Similarity NPC324327
0.7647 Intermediate Similarity NPC194620
0.7647 Intermediate Similarity NPC326994
0.7647 Intermediate Similarity NPC72813
0.7634 Intermediate Similarity NPC476803
0.7634 Intermediate Similarity NPC281516
0.7629 Intermediate Similarity NPC158416
0.7629 Intermediate Similarity NPC473291
0.7629 Intermediate Similarity NPC39859
0.7629 Intermediate Similarity NPC476009
0.7629 Intermediate Similarity NPC470883
0.7629 Intermediate Similarity NPC76862
0.7629 Intermediate Similarity NPC279722
0.7619 Intermediate Similarity NPC138757
0.7604 Intermediate Similarity NPC67831
0.7604 Intermediate Similarity NPC57405
0.7604 Intermediate Similarity NPC303942
0.7604 Intermediate Similarity NPC174051
0.7604 Intermediate Similarity NPC476267
0.76 Intermediate Similarity NPC86077
0.76 Intermediate Similarity NPC476126
0.76 Intermediate Similarity NPC476235
0.7596 Intermediate Similarity NPC477103
0.7582 Intermediate Similarity NPC151176
0.7582 Intermediate Similarity NPC3464
0.7582 Intermediate Similarity NPC165287
0.7582 Intermediate Similarity NPC475963
0.7579 Intermediate Similarity NPC146852
0.7579 Intermediate Similarity NPC475441
0.7576 Intermediate Similarity NPC475949
0.7573 Intermediate Similarity NPC55972
0.7573 Intermediate Similarity NPC474664
0.7573 Intermediate Similarity NPC14862
0.7573 Intermediate Similarity NPC327286
0.7573 Intermediate Similarity NPC233379
0.7573 Intermediate Similarity NPC169888
0.7553 Intermediate Similarity NPC151770
0.7553 Intermediate Similarity NPC130359
0.7553 Intermediate Similarity NPC117405
0.7553 Intermediate Similarity NPC14901
0.7553 Intermediate Similarity NPC473564
0.7553 Intermediate Similarity NPC52198
0.7551 Intermediate Similarity NPC236176
0.7549 Intermediate Similarity NPC16313
0.7549 Intermediate Similarity NPC9303
0.7549 Intermediate Similarity NPC223450
0.7547 Intermediate Similarity NPC106395
0.7547 Intermediate Similarity NPC46269
0.7528 Intermediate Similarity NPC103634
0.7527 Intermediate Similarity NPC231889
0.7527 Intermediate Similarity NPC248602
0.7527 Intermediate Similarity NPC471739
0.7527 Intermediate Similarity NPC179659
0.7527 Intermediate Similarity NPC197333
0.7526 Intermediate Similarity NPC471142
0.7526 Intermediate Similarity NPC107476
0.7526 Intermediate Similarity NPC304886
0.7526 Intermediate Similarity NPC261341
0.7526 Intermediate Similarity NPC108141
0.7525 Intermediate Similarity NPC69171
0.7525 Intermediate Similarity NPC474165
0.7525 Intermediate Similarity NPC4620
0.7524 Intermediate Similarity NPC317107
0.75 Intermediate Similarity NPC476213
0.75 Intermediate Similarity NPC475206
0.75 Intermediate Similarity NPC475922
0.75 Intermediate Similarity NPC477871
0.75 Intermediate Similarity NPC9878
0.75 Intermediate Similarity NPC477870
0.75 Intermediate Similarity NPC15218
0.75 Intermediate Similarity NPC470257
0.75 Intermediate Similarity NPC38154
0.75 Intermediate Similarity NPC476246

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476707 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
0.7789 Intermediate Similarity NPD5282 Discontinued
0.7767 Intermediate Similarity NPD6371 Approved
0.766 Intermediate Similarity NPD46 Approved
0.766 Intermediate Similarity NPD6698 Approved
0.7647 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7838 Discovery
0.7253 Intermediate Similarity NPD5369 Approved
0.7216 Intermediate Similarity NPD7983 Approved
0.7128 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD5363 Approved
0.7027 Intermediate Similarity NPD7115 Discovery
0.701 Intermediate Similarity NPD1695 Approved
0.6989 Remote Similarity NPD6435 Approved
0.6981 Remote Similarity NPD6412 Phase 2
0.6961 Remote Similarity NPD4225 Approved
0.6939 Remote Similarity NPD5785 Approved
0.6916 Remote Similarity NPD6686 Approved
0.6842 Remote Similarity NPD6054 Approved
0.6827 Remote Similarity NPD5344 Discontinued
0.6809 Remote Similarity NPD4270 Approved
0.6809 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4269 Approved
0.68 Remote Similarity NPD5778 Approved
0.68 Remote Similarity NPD5779 Approved
0.6789 Remote Similarity NPD4634 Approved
0.6774 Remote Similarity NPD5368 Approved
0.6737 Remote Similarity NPD6110 Phase 1
0.6724 Remote Similarity NPD6370 Approved
0.6701 Remote Similarity NPD5786 Approved
0.6696 Remote Similarity NPD6319 Approved
0.6696 Remote Similarity NPD6059 Approved
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6101 Approved
0.6638 Remote Similarity NPD6015 Approved
0.6638 Remote Similarity NPD6016 Approved
0.6628 Remote Similarity NPD7331 Phase 2
0.661 Remote Similarity NPD7492 Approved
0.6596 Remote Similarity NPD4252 Approved
0.6581 Remote Similarity NPD5988 Approved
0.6577 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7154 Phase 3
0.6555 Remote Similarity NPD6616 Approved
0.6545 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6084 Phase 2
0.6538 Remote Similarity NPD6083 Phase 2
0.6535 Remote Similarity NPD6411 Approved
0.6531 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6531 Remote Similarity NPD3618 Phase 1
0.6518 Remote Similarity NPD8297 Approved
0.6512 Remote Similarity NPD7341 Phase 2
0.6505 Remote Similarity NPD4629 Approved
0.6505 Remote Similarity NPD5210 Approved
0.65 Remote Similarity NPD7078 Approved
0.65 Remote Similarity NPD4753 Phase 2
0.6495 Remote Similarity NPD3665 Phase 1
0.6495 Remote Similarity NPD3666 Approved
0.6495 Remote Similarity NPD3133 Approved
0.6476 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6399 Phase 3
0.6465 Remote Similarity NPD7524 Approved
0.6465 Remote Similarity NPD4250 Approved
0.6465 Remote Similarity NPD4251 Approved
0.646 Remote Similarity NPD4632 Approved
0.6455 Remote Similarity NPD6881 Approved
0.6455 Remote Similarity NPD6899 Approved
0.6446 Remote Similarity NPD7736 Approved
0.6429 Remote Similarity NPD6650 Approved
0.6429 Remote Similarity NPD6649 Approved
0.6422 Remote Similarity NPD6675 Approved
0.6422 Remote Similarity NPD6402 Approved
0.6422 Remote Similarity NPD6008 Approved
0.6422 Remote Similarity NPD5739 Approved
0.6422 Remote Similarity NPD7128 Approved
0.6421 Remote Similarity NPD4822 Approved
0.6421 Remote Similarity NPD4820 Approved
0.6421 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6421 Remote Similarity NPD4821 Approved
0.6421 Remote Similarity NPD4819 Approved
0.6415 Remote Similarity NPD6648 Approved
0.6415 Remote Similarity NPD4696 Approved
0.6415 Remote Similarity NPD5286 Approved
0.6415 Remote Similarity NPD5285 Approved
0.6396 Remote Similarity NPD6373 Approved
0.6396 Remote Similarity NPD6372 Approved
0.6392 Remote Similarity NPD5362 Discontinued
0.6387 Remote Similarity NPD8328 Phase 3
0.6387 Remote Similarity NPD7642 Approved
0.6383 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6381 Remote Similarity NPD4755 Approved
0.6381 Remote Similarity NPD7902 Approved
0.6373 Remote Similarity NPD6079 Approved
0.6364 Remote Similarity NPD4249 Approved
0.6364 Remote Similarity NPD5697 Approved
0.6364 Remote Similarity NPD8293 Discontinued
0.6364 Remote Similarity NPD5279 Phase 3
0.6356 Remote Similarity NPD8513 Phase 3
0.6356 Remote Similarity NPD8515 Approved
0.6356 Remote Similarity NPD8517 Approved
0.6356 Remote Similarity NPD8516 Approved
0.6346 Remote Similarity NPD5695 Phase 3
0.6339 Remote Similarity NPD7290 Approved
0.6339 Remote Similarity NPD6883 Approved
0.6339 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6339 Remote Similarity NPD7102 Approved
0.6337 Remote Similarity NPD5328 Approved
0.6327 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6327 Remote Similarity NPD4786 Approved
0.6325 Remote Similarity NPD4522 Approved
0.6321 Remote Similarity NPD5696 Approved
0.6311 Remote Similarity NPD4202 Approved
0.6306 Remote Similarity NPD7320 Approved
0.6306 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5224 Approved
0.6296 Remote Similarity NPD5226 Approved
0.6296 Remote Similarity NPD5225 Approved
0.6296 Remote Similarity NPD4633 Approved
0.6296 Remote Similarity NPD5211 Phase 2
0.6289 Remote Similarity NPD3667 Approved
0.6289 Remote Similarity NPD5209 Approved
0.6286 Remote Similarity NPD7839 Suspended
0.6283 Remote Similarity NPD6869 Approved
0.6283 Remote Similarity NPD6847 Approved
0.6283 Remote Similarity NPD6617 Approved
0.6283 Remote Similarity NPD8130 Phase 1
0.6263 Remote Similarity NPD1694 Approved
0.6263 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6262 Remote Similarity NPD4700 Approved
0.625 Remote Similarity NPD7748 Approved
0.625 Remote Similarity NPD6012 Approved
0.625 Remote Similarity NPD7604 Phase 2
0.625 Remote Similarity NPD4695 Discontinued
0.625 Remote Similarity NPD6014 Approved
0.625 Remote Similarity NPD6013 Approved
0.6239 Remote Similarity NPD7641 Discontinued
0.6239 Remote Similarity NPD5175 Approved
0.6239 Remote Similarity NPD5174 Approved
0.6228 Remote Similarity NPD6053 Discontinued
0.6228 Remote Similarity NPD6882 Approved
0.6224 Remote Similarity NPD6695 Phase 3
0.6216 Remote Similarity NPD5701 Approved
0.6214 Remote Similarity NPD7637 Suspended
0.6214 Remote Similarity NPD7515 Phase 2
0.6211 Remote Similarity NPD4271 Approved
0.6211 Remote Similarity NPD4268 Approved
0.621 Remote Similarity NPD5956 Approved
0.6204 Remote Similarity NPD5223 Approved
0.62 Remote Similarity NPD7146 Approved
0.62 Remote Similarity NPD6409 Approved
0.62 Remote Similarity NPD7334 Approved
0.62 Remote Similarity NPD7521 Approved
0.62 Remote Similarity NPD5330 Approved
0.62 Remote Similarity NPD6684 Approved
0.619 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5141 Approved
0.6179 Remote Similarity NPD6033 Approved
0.6172 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6168 Remote Similarity NPD7638 Approved
0.6161 Remote Similarity NPD6011 Approved
0.6154 Remote Similarity NPD6009 Approved
0.6132 Remote Similarity NPD5222 Approved
0.6132 Remote Similarity NPD4697 Phase 3
0.6132 Remote Similarity NPD5221 Approved
0.6132 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6129 Remote Similarity NPD7319 Approved
0.6122 Remote Similarity NPD4223 Phase 3
0.6122 Remote Similarity NPD4221 Approved
0.6122 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6116 Remote Similarity NPD7830 Approved
0.6116 Remote Similarity NPD7829 Approved
0.6111 Remote Similarity NPD7640 Approved
0.6111 Remote Similarity NPD7639 Approved
0.6106 Remote Similarity NPD8132 Clinical (unspecified phase)
0.61 Remote Similarity NPD5329 Approved
0.6098 Remote Similarity NPD8074 Phase 3
0.6095 Remote Similarity NPD7900 Approved
0.6095 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6083 Remote Similarity NPD5983 Phase 2
0.6078 Remote Similarity NPD6672 Approved
0.6078 Remote Similarity NPD5737 Approved
0.6078 Remote Similarity NPD6903 Approved
0.6078 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6075 Remote Similarity NPD5173 Approved
0.6071 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6061 Remote Similarity NPD4788 Approved
0.6058 Remote Similarity NPD5281 Approved
0.6058 Remote Similarity NPD5284 Approved
0.604 Remote Similarity NPD5690 Phase 2
0.6033 Remote Similarity NPD8080 Discontinued
0.6023 Remote Similarity NPD3197 Phase 1
0.6019 Remote Similarity NPD5370 Suspended
0.6018 Remote Similarity NPD5128 Approved
0.6018 Remote Similarity NPD4729 Approved
0.6018 Remote Similarity NPD4730 Approved
0.6016 Remote Similarity NPD7507 Approved
0.6016 Remote Similarity NPD8273 Phase 1
0.6016 Remote Similarity NPD6336 Discontinued
0.6 Remote Similarity NPD4197 Approved
0.6 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6 Remote Similarity NPD6933 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3634663
ZINC  

Physicochemical Properties

Molecular Weight:  336.23
ALogP:  1.6911
MLogP:  3.22
XLogP:  2.432
# 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