Natural Product: NPC476708

Natural Product ID:  NPC476708
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O4
Standard InCHIKey:  WUZGXABGCGIHCY-RWKKOLHOSA-N
Standard InCHI:  InChI=1S/C20H32O4/c1-13(2)20-9-6-14(3)15(21)12-16(22)18(4)8-7-17(23-18)19(5,24-20)10-11-20/h6,13,16-17,22H,7-12H2,1-5H3/b14-6+/t16-,17-,18+,19+,20+/m0/s1
Canonical SMILES:  C/C/1=CC[C@@]2(CC[C@](O2)(C)[C@H]2O[C@]([C@H](CC1=O)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

  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 NPC476708 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
0.9024 High Similarity NPC472948
0.8764 High Similarity NPC476705
0.8444 Intermediate Similarity NPC158388
0.8444 Intermediate Similarity NPC478004
0.8444 Intermediate Similarity NPC478003
0.8352 Intermediate Similarity NPC12172
0.8352 Intermediate Similarity NPC208886
0.8261 Intermediate Similarity NPC81419
0.8261 Intermediate Similarity NPC179746
0.8222 Intermediate Similarity NPC476704
0.8152 Intermediate Similarity NPC30515
0.8152 Intermediate Similarity NPC184463
0.8144 Intermediate Similarity NPC474747
0.8132 Intermediate Similarity NPC307411
0.8081 Intermediate Similarity NPC471333
0.8081 Intermediate Similarity NPC471332
0.8061 Intermediate Similarity NPC475945
0.8061 Intermediate Similarity NPC475871
0.8043 Intermediate Similarity NPC476004
0.8043 Intermediate Similarity NPC474761
0.8043 Intermediate Similarity NPC51004
0.8041 Intermediate Similarity NPC474742
0.8022 Intermediate Similarity NPC202672
0.8022 Intermediate Similarity NPC177629
0.8022 Intermediate Similarity NPC58219
0.8021 Intermediate Similarity NPC187268
0.8 Intermediate Similarity NPC8803
0.798 Intermediate Similarity NPC203659
0.798 Intermediate Similarity NPC100487
0.7979 Intermediate Similarity NPC469819
0.7979 Intermediate Similarity NPC114162
0.7959 Intermediate Similarity NPC86077
0.7959 Intermediate Similarity NPC225353
0.7935 Intermediate Similarity NPC92974
0.7935 Intermediate Similarity NPC473564
0.7917 Intermediate Similarity NPC27105
0.7912 Intermediate Similarity NPC186148
0.7895 Intermediate Similarity NPC36954
0.7889 Intermediate Similarity NPC475206
0.7879 Intermediate Similarity NPC110989
0.7879 Intermediate Similarity NPC475873
0.7872 Intermediate Similarity NPC476300
0.7872 Intermediate Similarity NPC212486
0.7872 Intermediate Similarity NPC61275
0.7872 Intermediate Similarity NPC475912
0.7872 Intermediate Similarity NPC469645
0.7872 Intermediate Similarity NPC469692
0.7857 Intermediate Similarity NPC47880
0.7857 Intermediate Similarity NPC185141
0.7857 Intermediate Similarity NPC476134
0.7857 Intermediate Similarity NPC474339
0.7857 Intermediate Similarity NPC101067
0.7857 Intermediate Similarity NPC164598
0.7857 Intermediate Similarity NPC46998
0.7857 Intermediate Similarity NPC128733
0.7857 Intermediate Similarity NPC110443
0.7857 Intermediate Similarity NPC133907
0.7835 Intermediate Similarity NPC471330
0.7835 Intermediate Similarity NPC471331
0.7835 Intermediate Similarity NPC472687
0.7835 Intermediate Similarity NPC203388
0.7835 Intermediate Similarity NPC99657
0.7822 Intermediate Similarity NPC26617
0.7812 Intermediate Similarity NPC93271
0.7812 Intermediate Similarity NPC135576
0.7805 Intermediate Similarity NPC16964
0.78 Intermediate Similarity NPC474741
0.7789 Intermediate Similarity NPC81386
0.7789 Intermediate Similarity NPC121825
0.7789 Intermediate Similarity NPC474035
0.7778 Intermediate Similarity NPC149371
0.7778 Intermediate Similarity NPC70369
0.7766 Intermediate Similarity NPC146852
0.7755 Intermediate Similarity NPC288876
0.7742 Intermediate Similarity NPC130359
0.7742 Intermediate Similarity NPC14901
0.7742 Intermediate Similarity NPC295312
0.7732 Intermediate Similarity NPC266842
0.7717 Intermediate Similarity NPC248602
0.7717 Intermediate Similarity NPC179659
0.7717 Intermediate Similarity NPC160138
0.7708 Intermediate Similarity NPC304886
0.7708 Intermediate Similarity NPC14961
0.7708 Intermediate Similarity NPC475900
0.7708 Intermediate Similarity NPC270013
0.7701 Intermediate Similarity NPC218817
0.7701 Intermediate Similarity NPC11796
0.7701 Intermediate Similarity NPC3852
0.77 Intermediate Similarity NPC472755
0.7692 Intermediate Similarity NPC125290
0.7677 Intermediate Similarity NPC472753
0.7677 Intermediate Similarity NPC150923
0.7677 Intermediate Similarity NPC476270
0.767 Intermediate Similarity NPC38154
0.7667 Intermediate Similarity NPC11620
0.766 Intermediate Similarity NPC71533
0.766 Intermediate Similarity NPC473448
0.766 Intermediate Similarity NPC206614
0.766 Intermediate Similarity NPC474323
0.766 Intermediate Similarity NPC106510
0.7653 Intermediate Similarity NPC471144
0.7653 Intermediate Similarity NPC473326
0.7634 Intermediate Similarity NPC61257
0.7634 Intermediate Similarity NPC274446
0.7634 Intermediate Similarity NPC151403
0.7634 Intermediate Similarity NPC261952
0.7634 Intermediate Similarity NPC169511
0.7634 Intermediate Similarity NPC81045
0.7634 Intermediate Similarity NPC242364
0.7634 Intermediate Similarity NPC172821
0.7634 Intermediate Similarity NPC39754
0.7634 Intermediate Similarity NPC191929
0.7634 Intermediate Similarity NPC287164
0.7634 Intermediate Similarity NPC100454
0.7634 Intermediate Similarity NPC133730
0.7634 Intermediate Similarity NPC234077
0.7634 Intermediate Similarity NPC320569
0.7634 Intermediate Similarity NPC171135
0.7629 Intermediate Similarity NPC472734
0.7629 Intermediate Similarity NPC230800
0.7629 Intermediate Similarity NPC158416
0.7629 Intermediate Similarity NPC476315
0.7629 Intermediate Similarity NPC39859
0.7629 Intermediate Similarity NPC279621
0.7629 Intermediate Similarity NPC476009
0.7629 Intermediate Similarity NPC473859
0.7629 Intermediate Similarity NPC470883
0.7629 Intermediate Similarity NPC76862
0.7629 Intermediate Similarity NPC472733
0.7624 Intermediate Similarity NPC472756
0.7624 Intermediate Similarity NPC474917
0.7619 Intermediate Similarity NPC306085
0.7614 Intermediate Similarity NPC476701
0.7609 Intermediate Similarity NPC134807
0.7609 Intermediate Similarity NPC232555
0.7609 Intermediate Similarity NPC114694
0.7609 Intermediate Similarity NPC210218
0.7609 Intermediate Similarity NPC308412
0.7609 Intermediate Similarity NPC142117
0.7609 Intermediate Similarity NPC62118
0.7609 Intermediate Similarity NPC240695
0.7609 Intermediate Similarity NPC134885
0.7609 Intermediate Similarity NPC171174
0.7609 Intermediate Similarity NPC473687
0.7609 Intermediate Similarity NPC107717
0.7609 Intermediate Similarity NPC231096
0.7609 Intermediate Similarity NPC475581
0.7609 Intermediate Similarity NPC219498
0.7609 Intermediate Similarity NPC204686
0.7604 Intermediate Similarity NPC477131
0.7604 Intermediate Similarity NPC474338
0.76 Intermediate Similarity NPC472754
0.76 Intermediate Similarity NPC471148
0.7596 Intermediate Similarity NPC257240
0.7582 Intermediate Similarity NPC474780
0.7582 Intermediate Similarity NPC151176
0.7582 Intermediate Similarity NPC3464
0.7582 Intermediate Similarity NPC165287
0.7582 Intermediate Similarity NPC475963
0.7579 Intermediate Similarity NPC111114
0.7579 Intermediate Similarity NPC300312
0.7579 Intermediate Similarity NPC131209
0.7579 Intermediate Similarity NPC133698
0.7579 Intermediate Similarity NPC261607
0.7579 Intermediate Similarity NPC469627
0.7576 Intermediate Similarity NPC70865
0.7573 Intermediate Similarity NPC475960
0.7553 Intermediate Similarity NPC93794
0.7553 Intermediate Similarity NPC20621
0.7553 Intermediate Similarity NPC40066
0.7553 Intermediate Similarity NPC42598
0.7553 Intermediate Similarity NPC91067
0.7553 Intermediate Similarity NPC81778
0.7553 Intermediate Similarity NPC473504
0.7553 Intermediate Similarity NPC318963
0.7553 Intermediate Similarity NPC474032
0.7551 Intermediate Similarity NPC472732
0.7551 Intermediate Similarity NPC474313
0.7551 Intermediate Similarity NPC170143
0.7551 Intermediate Similarity NPC108475
0.7551 Intermediate Similarity NPC213947
0.7551 Intermediate Similarity NPC40812
0.7551 Intermediate Similarity NPC472731
0.7549 Intermediate Similarity NPC243998
0.7549 Intermediate Similarity NPC96377
0.7528 Intermediate Similarity NPC103634
0.7527 Intermediate Similarity NPC190753
0.7526 Intermediate Similarity NPC471142
0.7526 Intermediate Similarity NPC107476
0.7526 Intermediate Similarity NPC475659
0.7525 Intermediate Similarity NPC69171
0.7525 Intermediate Similarity NPC474165
0.7525 Intermediate Similarity NPC4620
0.75 Intermediate Similarity NPC39167
0.75 Intermediate Similarity NPC288240
0.75 Intermediate Similarity NPC273579
0.75 Intermediate Similarity NPC202055
0.75 Intermediate Similarity NPC82795

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476708 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
0.7979 Intermediate Similarity NPD5282 Discontinued
0.7822 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD6371 Approved
0.7444 Intermediate Similarity NPD5369 Approved
0.7347 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD5363 Approved
0.7292 Intermediate Similarity NPD6698 Approved
0.7292 Intermediate Similarity NPD46 Approved
0.7216 Intermediate Similarity NPD7983 Approved
0.7113 Intermediate Similarity NPD5785 Approved
0.6989 Remote Similarity NPD4270 Approved
0.6989 Remote Similarity NPD4269 Approved
0.6961 Remote Similarity NPD4225 Approved
0.6947 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6939 Remote Similarity NPD7838 Discovery
0.6915 Remote Similarity NPD6110 Phase 1
0.6875 Remote Similarity NPD5786 Approved
0.6842 Remote Similarity NPD6054 Approved
0.6837 Remote Similarity NPD1695 Approved
0.6822 Remote Similarity NPD6412 Phase 2
0.6809 Remote Similarity NPD4800 Clinical (unspecified phase)
0.68 Remote Similarity NPD5778 Approved
0.68 Remote Similarity NPD5779 Approved
0.6774 Remote Similarity NPD4252 Approved
0.6759 Remote Similarity NPD6686 Approved
0.6737 Remote Similarity NPD5362 Discontinued
0.6726 Remote Similarity NPD7115 Discovery
0.6724 Remote Similarity NPD6370 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 NPD6016 Approved
0.6638 Remote Similarity NPD6015 Approved
0.6635 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6633 Remote Similarity NPD4250 Approved
0.6633 Remote Similarity NPD4251 Approved
0.6632 Remote Similarity NPD6435 Approved
0.6628 Remote Similarity NPD7331 Phase 2
0.661 Remote Similarity NPD7492 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
0.6552 Remote Similarity NPD6319 Approved
0.6535 Remote Similarity NPD6411 Approved
0.6531 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4249 Approved
0.6531 Remote Similarity NPD3618 Phase 1
0.6512 Remote Similarity NPD7341 Phase 2
0.6509 Remote Similarity NPD5344 Discontinued
0.65 Remote Similarity NPD7078 Approved
0.6495 Remote Similarity NPD3666 Approved
0.6495 Remote Similarity NPD3665 Phase 1
0.6495 Remote Similarity NPD3133 Approved
0.6495 Remote Similarity NPD4786 Approved
0.6486 Remote Similarity NPD4634 Approved
0.6471 Remote Similarity NPD6399 Phase 3
0.6465 Remote Similarity NPD7524 Approved
0.646 Remote Similarity NPD4632 Approved
0.6458 Remote Similarity NPD3667 Approved
0.6446 Remote Similarity NPD7736 Approved
0.6422 Remote Similarity NPD6008 Approved
0.6421 Remote Similarity NPD4695 Discontinued
0.6421 Remote Similarity NPD5368 Approved
0.6383 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6381 Remote Similarity NPD6083 Phase 2
0.6381 Remote Similarity NPD6084 Phase 2
0.6373 Remote Similarity NPD6079 Approved
0.6372 Remote Similarity NPD6053 Discontinued
0.6364 Remote Similarity NPD5279 Phase 3
0.6364 Remote Similarity NPD8293 Discontinued
0.6356 Remote Similarity NPD8513 Phase 3
0.6356 Remote Similarity NPD8517 Approved
0.6356 Remote Similarity NPD8515 Approved
0.6356 Remote Similarity NPD8516 Approved
0.6346 Remote Similarity NPD4629 Approved
0.6346 Remote Similarity NPD5210 Approved
0.6337 Remote Similarity NPD5328 Approved
0.6337 Remote Similarity NPD4753 Phase 2
0.6321 Remote Similarity NPD7638 Approved
0.6311 Remote Similarity NPD6033 Approved
0.6286 Remote Similarity NPD7839 Suspended
0.6263 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6263 Remote Similarity NPD1694 Approved
0.6262 Remote Similarity NPD7640 Approved
0.6262 Remote Similarity NPD7639 Approved
0.625 Remote Similarity NPD7748 Approved
0.625 Remote Similarity NPD5790 Clinical (unspecified phase)
0.625 Remote Similarity NPD4820 Approved
0.625 Remote Similarity NPD8328 Phase 3
0.625 Remote Similarity NPD4821 Approved
0.625 Remote Similarity NPD4822 Approved
0.625 Remote Similarity NPD4819 Approved
0.6239 Remote Similarity NPD7641 Discontinued
0.6238 Remote Similarity NPD6903 Approved
0.6228 Remote Similarity NPD8297 Approved
0.6226 Remote Similarity NPD7902 Approved
0.6224 Remote Similarity NPD6695 Phase 3
0.6224 Remote Similarity NPD5332 Approved
0.6224 Remote Similarity NPD5331 Approved
0.6214 Remote Similarity NPD7637 Suspended
0.6214 Remote Similarity NPD7515 Phase 2
0.621 Remote Similarity NPD5956 Approved
0.62 Remote Similarity NPD6409 Approved
0.62 Remote Similarity NPD7334 Approved
0.62 Remote Similarity NPD7146 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)
0.619 Remote Similarity NPD5695 Phase 3
0.6186 Remote Similarity NPD4790 Discontinued
0.6176 Remote Similarity NPD5370 Suspended
0.617 Remote Similarity NPD6933 Approved
0.6168 Remote Similarity NPD5696 Approved
0.6162 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6161 Remote Similarity NPD7320 Approved
0.6161 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6161 Remote Similarity NPD6881 Approved
0.6161 Remote Similarity NPD6899 Approved
0.6154 Remote Similarity NPD4202 Approved
0.6154 Remote Similarity NPD6009 Approved
0.614 Remote Similarity NPD6650 Approved
0.614 Remote Similarity NPD6649 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
0.6126 Remote Similarity NPD5739 Approved
0.6126 Remote Similarity NPD7128 Approved
0.6126 Remote Similarity NPD6402 Approved
0.6126 Remote Similarity NPD6675 Approved
0.6122 Remote Similarity NPD4223 Phase 3
0.6122 Remote Similarity NPD4221 Approved
0.6122 Remote Similarity NPD5209 Approved
0.6122 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6116 Remote Similarity NPD6067 Discontinued
0.6116 Remote Similarity NPD7642 Approved
0.6116 Remote Similarity NPD7604 Phase 2
0.6111 Remote Similarity NPD5286 Approved
0.6111 Remote Similarity NPD6648 Approved
0.6111 Remote Similarity NPD4696 Approved
0.6111 Remote Similarity NPD5285 Approved
0.6106 Remote Similarity NPD6372 Approved
0.6106 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6106 Remote Similarity NPD6373 Approved
0.61 Remote Similarity NPD5329 Approved
0.6098 Remote Similarity NPD8074 Phase 3
0.6092 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6083 Remote Similarity NPD5983 Phase 2
0.6082 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6078 Remote Similarity NPD6672 Approved
0.6078 Remote Similarity NPD5737 Approved
0.6078 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6075 Remote Similarity NPD4755 Approved
0.6075 Remote Similarity NPD5173 Approved
0.6071 Remote Similarity NPD5697 Approved
0.6067 Remote Similarity NPD3704 Approved
0.6061 Remote Similarity NPD4788 Approved
0.6058 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5223 Approved
0.6053 Remote Similarity NPD7290 Approved
0.6053 Remote Similarity NPD6883 Approved
0.6053 Remote Similarity NPD7102 Approved
0.605 Remote Similarity NPD4522 Approved
0.6047 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6042 Remote Similarity NPD4268 Approved
0.6042 Remote Similarity NPD4271 Approved
0.604 Remote Similarity NPD5690 Phase 2
0.6033 Remote Similarity NPD8080 Discontinued
0.6023 Remote Similarity NPD3197 Phase 1
0.6018 Remote Similarity NPD6011 Approved
0.6017 Remote Similarity NPD7500 Approved
0.6016 Remote Similarity NPD7507 Approved
0.6016 Remote Similarity NPD6336 Discontinued
0.6 Remote Similarity NPD5226 Approved
0.6 Remote Similarity NPD4197 Approved
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD4633 Approved
0.6 Remote Similarity NPD5225 Approved
0.6 Remote Similarity NPD5211 Phase 2
0.6 Remote Similarity NPD6847 Approved
0.6 Remote Similarity NPD3668 Phase 3
0.6 Remote Similarity NPD5224 Approved
0.598 Remote Similarity NPD7750 Discontinued
0.5965 Remote Similarity NPD6013 Approved
0.5965 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5965 Remote Similarity NPD6014 Approved
0.5965 Remote Similarity NPD6012 Approved
0.5963 Remote Similarity NPD4700 Approved
0.5962 Remote Similarity NPD5207 Approved
0.5957 Remote Similarity NPD6926 Approved
0.5957 Remote Similarity NPD6924 Approved
0.595 Remote Similarity NPD8266 Approved
0.595 Remote Similarity NPD8269 Approved
0.595 Remote Similarity NPD8267 Approved
0.595 Remote Similarity NPD8268 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3634664
ZINC  

Physicochemical Properties

Molecular Weight:  336.23
ALogP:  0.9543
MLogP:  3.22
XLogP:  2.432
# Rotatable Bonds:  7
Polar Surface Area:  55.76
# 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