Natural Product: NPC476709

Natural Product ID:  NPC476709
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H34O3
Standard InCHIKey:  ARTVDMKLQDTMGX-RHKYAHEOSA-N
Standard InCHI:  InChI=1S/C20H34O3/c1-14(2)20-12-11-18(4,23-20)16(21)9-8-15(3)7-6-10-19(5)17(13-20)22-19/h7,14,16-17,21H,6,8-13H2,1-5H3/b15-7+/t16-,17-,18-,19-,20+/m1/s1
Canonical SMILES:  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

  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 NPC476709 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
0.9437 High Similarity NPC476703
0.8784 High Similarity NPC477089
0.875 High Similarity NPC190859
0.8714 High Similarity NPC16964
0.8667 High Similarity NPC476701
0.8514 High Similarity NPC170148
0.8378 Intermediate Similarity NPC12696
0.8243 Intermediate Similarity NPC471525
0.8219 Intermediate Similarity NPC306085
0.8194 Intermediate Similarity NPC239373
0.8194 Intermediate Similarity NPC304690
0.8194 Intermediate Similarity NPC329989
0.8194 Intermediate Similarity NPC74722
0.8171 Intermediate Similarity NPC476707
0.8171 Intermediate Similarity NPC476704
0.8171 Intermediate Similarity NPC476706
0.8169 Intermediate Similarity NPC259299
0.8143 Intermediate Similarity NPC471200
0.8082 Intermediate Similarity NPC470041
0.8082 Intermediate Similarity NPC129630
0.8056 Intermediate Similarity NPC305698
0.8052 Intermediate Similarity NPC3852
0.8026 Intermediate Similarity NPC293223
0.8 Intermediate Similarity NPC231601
0.7945 Intermediate Similarity NPC472947
0.7895 Intermediate Similarity NPC36479
0.7882 Intermediate Similarity NPC476705
0.7821 Intermediate Similarity NPC68119
0.7821 Intermediate Similarity NPC13823
0.7805 Intermediate Similarity NPC298595
0.7792 Intermediate Similarity NPC329626
0.775 Intermediate Similarity NPC246621
0.775 Intermediate Similarity NPC474894
0.7746 Intermediate Similarity NPC476702
0.7738 Intermediate Similarity NPC309656
0.7671 Intermediate Similarity NPC472253
0.7671 Intermediate Similarity NPC33583
0.7671 Intermediate Similarity NPC472255
0.7671 Intermediate Similarity NPC161612
0.7662 Intermediate Similarity NPC93213
0.7647 Intermediate Similarity NPC52012
0.7639 Intermediate Similarity NPC250836
0.7639 Intermediate Similarity NPC61503
0.7632 Intermediate Similarity NPC329763
0.7625 Intermediate Similarity NPC100697
0.7625 Intermediate Similarity NPC472948
0.7612 Intermediate Similarity NPC223604
0.76 Intermediate Similarity NPC471781
0.7568 Intermediate Similarity NPC470040
0.7564 Intermediate Similarity NPC256720
0.7564 Intermediate Similarity NPC236228
0.7564 Intermediate Similarity NPC268111
0.7534 Intermediate Similarity NPC272125
0.7534 Intermediate Similarity NPC311736
0.7531 Intermediate Similarity NPC118116
0.75 Intermediate Similarity NPC287744
0.75 Intermediate Similarity NPC125399
0.75 Intermediate Similarity NPC255143
0.75 Intermediate Similarity NPC247826
0.75 Intermediate Similarity NPC140233
0.7468 Intermediate Similarity NPC40049
0.7467 Intermediate Similarity NPC329656
0.7439 Intermediate Similarity NPC477390
0.7439 Intermediate Similarity NPC477385
0.7432 Intermediate Similarity NPC163290
0.7432 Intermediate Similarity NPC473357
0.7432 Intermediate Similarity NPC73603
0.7432 Intermediate Similarity NPC193029
0.7429 Intermediate Similarity NPC475931
0.7412 Intermediate Similarity NPC476948
0.7407 Intermediate Similarity NPC474739
0.7403 Intermediate Similarity NPC143576
0.7386 Intermediate Similarity NPC98193
0.7386 Intermediate Similarity NPC212486
0.7386 Intermediate Similarity NPC119379
0.7381 Intermediate Similarity NPC290731
0.7375 Intermediate Similarity NPC181838
0.7375 Intermediate Similarity NPC137345
0.7361 Intermediate Similarity NPC50435
0.7356 Intermediate Similarity NPC191323
0.7353 Intermediate Similarity NPC281590
0.7349 Intermediate Similarity NPC239308
0.7333 Intermediate Similarity NPC103165
0.7333 Intermediate Similarity NPC210717
0.7326 Intermediate Similarity NPC476708
0.7297 Intermediate Similarity NPC267027
0.7297 Intermediate Similarity NPC469328
0.7273 Intermediate Similarity NPC208839
0.7273 Intermediate Similarity NPC210268
0.7273 Intermediate Similarity NPC41886
0.7273 Intermediate Similarity NPC184463
0.726 Intermediate Similarity NPC309300
0.726 Intermediate Similarity NPC300593
0.7253 Intermediate Similarity NPC261807
0.725 Intermediate Similarity NPC130136
0.725 Intermediate Similarity NPC84360
0.725 Intermediate Similarity NPC477426
0.725 Intermediate Similarity NPC477425
0.725 Intermediate Similarity NPC471454
0.725 Intermediate Similarity NPC186109
0.725 Intermediate Similarity NPC477427
0.725 Intermediate Similarity NPC474826
0.7241 Intermediate Similarity NPC133450
0.7241 Intermediate Similarity NPC473058
0.7241 Intermediate Similarity NPC49783
0.7237 Intermediate Similarity NPC144647
0.7229 Intermediate Similarity NPC20072
0.7222 Intermediate Similarity NPC270013
0.7222 Intermediate Similarity NPC64971
0.7222 Intermediate Similarity NPC14961
0.7222 Intermediate Similarity NPC475251
0.7222 Intermediate Similarity NPC63111
0.7215 Intermediate Similarity NPC113639
0.7209 Intermediate Similarity NPC189777
0.72 Intermediate Similarity NPC82337
0.7195 Intermediate Similarity NPC103634
0.7195 Intermediate Similarity NPC474592
0.7183 Intermediate Similarity NPC122239
0.7176 Intermediate Similarity NPC471379
0.7176 Intermediate Similarity NPC474189
0.7176 Intermediate Similarity NPC474349
0.7176 Intermediate Similarity NPC196911
0.7162 Intermediate Similarity NPC477009
0.7162 Intermediate Similarity NPC473722
0.7162 Intermediate Similarity NPC238352
0.716 Intermediate Similarity NPC475980
0.716 Intermediate Similarity NPC11796
0.716 Intermediate Similarity NPC218817
0.716 Intermediate Similarity NPC52755
0.7159 Intermediate Similarity NPC197107
0.7159 Intermediate Similarity NPC473448
0.7159 Intermediate Similarity NPC3952
0.7159 Intermediate Similarity NPC470832
0.7159 Intermediate Similarity NPC177668
0.7159 Intermediate Similarity NPC159876
0.7143 Intermediate Similarity NPC320548
0.7143 Intermediate Similarity NPC260852
0.7143 Intermediate Similarity NPC476315
0.7126 Intermediate Similarity NPC248312
0.7125 Intermediate Similarity NPC126969
0.7125 Intermediate Similarity NPC301525
0.7125 Intermediate Similarity NPC315261
0.7123 Intermediate Similarity NPC279200
0.7123 Intermediate Similarity NPC473508
0.7111 Intermediate Similarity NPC81386
0.7111 Intermediate Similarity NPC174051
0.7111 Intermediate Similarity NPC474035
0.7111 Intermediate Similarity NPC67831
0.7108 Intermediate Similarity NPC77003
0.7108 Intermediate Similarity NPC207188
0.7105 Intermediate Similarity NPC224532
0.7105 Intermediate Similarity NPC272961
0.7097 Intermediate Similarity NPC324598
0.7093 Intermediate Similarity NPC477387
0.7093 Intermediate Similarity NPC476217
0.7093 Intermediate Similarity NPC470836
0.7093 Intermediate Similarity NPC477389
0.7093 Intermediate Similarity NPC311163
0.7093 Intermediate Similarity NPC281316
0.7079 Intermediate Similarity NPC114389
0.7079 Intermediate Similarity NPC30515
0.7079 Intermediate Similarity NPC262870
0.7079 Intermediate Similarity NPC302584
0.7073 Intermediate Similarity NPC86971
0.7073 Intermediate Similarity NPC471537
0.7073 Intermediate Similarity NPC233295
0.7065 Intermediate Similarity NPC476021
0.7065 Intermediate Similarity NPC476040
0.7065 Intermediate Similarity NPC474994
0.7059 Intermediate Similarity NPC186155
0.7059 Intermediate Similarity NPC166279
0.7059 Intermediate Similarity NPC160517
0.7059 Intermediate Similarity NPC319238
0.7059 Intermediate Similarity NPC78673
0.7059 Intermediate Similarity NPC83702
0.7051 Intermediate Similarity NPC471662
0.7045 Intermediate Similarity NPC128066
0.7045 Intermediate Similarity NPC161560
0.7045 Intermediate Similarity NPC97103
0.7045 Intermediate Similarity NPC299527
0.7045 Intermediate Similarity NPC115607
0.7045 Intermediate Similarity NPC307411
0.7045 Intermediate Similarity NPC473564
0.7042 Intermediate Similarity NPC226848
0.7042 Intermediate Similarity NPC181872
0.7042 Intermediate Similarity NPC41180
0.7042 Intermediate Similarity NPC152438
0.7037 Intermediate Similarity NPC31037
0.7037 Intermediate Similarity NPC476439
0.7033 Intermediate Similarity NPC36954
0.7033 Intermediate Similarity NPC240838
0.7033 Intermediate Similarity NPC220221
0.7033 Intermediate Similarity NPC476720
0.7033 Intermediate Similarity NPC8774
0.7033 Intermediate Similarity NPC107476
0.7027 Intermediate Similarity NPC225415
0.7027 Intermediate Similarity NPC199937
0.7024 Intermediate Similarity NPC103171
0.7024 Intermediate Similarity NPC155521
0.7024 Intermediate Similarity NPC472465

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476709 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
0.7412 Intermediate Similarity NPD7524 Approved
0.7262 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7838 Discovery
0.7143 Intermediate Similarity NPD6695 Phase 3
0.7125 Intermediate Similarity NPD6933 Approved
0.6988 Remote Similarity NPD6930 Phase 2
0.6988 Remote Similarity NPD6931 Approved
0.6966 Remote Similarity NPD6698 Approved
0.6966 Remote Similarity NPD46 Approved
0.6875 Remote Similarity NPD6926 Approved
0.6875 Remote Similarity NPD6924 Approved
0.6867 Remote Similarity NPD6929 Approved
0.6842 Remote Similarity NPD5344 Discontinued
0.6829 Remote Similarity NPD6932 Approved
0.6818 Remote Similarity NPD7750 Discontinued
0.6778 Remote Similarity NPD3168 Discontinued
0.6757 Remote Similarity NPD368 Approved
0.6667 Remote Similarity NPD6683 Phase 2
0.6627 Remote Similarity NPD6925 Approved
0.6627 Remote Similarity NPD5776 Phase 2
0.6591 Remote Similarity NPD6893 Approved
0.6588 Remote Similarity NPD7509 Discontinued
0.6588 Remote Similarity NPD7514 Phase 3
0.6588 Remote Similarity NPD7332 Phase 2
0.6588 Remote Similarity NPD7525 Registered
0.6548 Remote Similarity NPD7145 Approved
0.6522 Remote Similarity NPD7983 Approved
0.6522 Remote Similarity NPD7087 Discontinued
0.6512 Remote Similarity NPD6902 Approved
0.6512 Remote Similarity NPD6898 Phase 1
0.6471 Remote Similarity NPD7645 Phase 2
0.6444 Remote Similarity NPD4251 Approved
0.6444 Remote Similarity NPD4250 Approved
0.6437 Remote Similarity NPD6435 Approved
0.6404 Remote Similarity NPD1733 Clinical (unspecified phase)
0.64 Remote Similarity NPD1145 Discontinued
0.6395 Remote Similarity NPD4820 Approved
0.6395 Remote Similarity NPD4819 Approved
0.6395 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4822 Approved
0.6395 Remote Similarity NPD4821 Approved
0.6392 Remote Similarity NPD6648 Approved
0.6386 Remote Similarity NPD7339 Approved
0.6386 Remote Similarity NPD6942 Approved
0.6383 Remote Similarity NPD5282 Discontinued
0.6375 Remote Similarity NPD6923 Approved
0.6375 Remote Similarity NPD6922 Approved
0.6364 Remote Similarity NPD371 Approved
0.6337 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4249 Approved
0.6311 Remote Similarity NPD6371 Approved
0.631 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6304 Remote Similarity NPD1695 Approved
0.6296 Remote Similarity NPD7143 Approved
0.6296 Remote Similarity NPD7144 Approved
0.6282 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6238 Remote Similarity NPD5357 Phase 1
0.6222 Remote Similarity NPD6082 Clinical (unspecified phase)
0.622 Remote Similarity NPD7151 Approved
0.622 Remote Similarity NPD7150 Approved
0.622 Remote Similarity NPD7152 Approved
0.6207 Remote Similarity NPD5368 Approved
0.618 Remote Similarity NPD7154 Phase 3
0.6176 Remote Similarity NPD6412 Phase 2
0.6164 Remote Similarity NPD342 Phase 1
0.6163 Remote Similarity NPD4271 Approved
0.6163 Remote Similarity NPD4268 Approved
0.6163 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6136 Remote Similarity NPD5369 Approved
0.6122 Remote Similarity NPD4225 Approved
0.6117 Remote Similarity NPD6686 Approved
0.6105 Remote Similarity NPD5779 Approved
0.6105 Remote Similarity NPD5778 Approved
0.61 Remote Similarity NPD3653 Clinical (unspecified phase)
0.6095 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6024 Remote Similarity NPD4243 Approved
0.6 Remote Similarity NPD5362 Discontinued
0.6 Remote Similarity NPD6110 Phase 1
0.6 Remote Similarity NPD7637 Suspended
0.6 Remote Similarity NPD8264 Approved
0.596 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5957 Remote Similarity NPD6101 Approved
0.5957 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5952 Remote Similarity NPD4732 Discontinued
0.5934 Remote Similarity NPD4786 Approved
0.5922 Remote Similarity NPD6640 Phase 3
0.5905 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5889 Remote Similarity NPD3667 Approved
0.5882 Remote Similarity NPD4785 Approved
0.5882 Remote Similarity NPD4784 Approved
0.5842 Remote Similarity NPD4159 Approved
0.5833 Remote Similarity NPD6411 Approved
0.5824 Remote Similarity NPD5332 Approved
0.5824 Remote Similarity NPD5331 Approved
0.5816 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5802 Remote Similarity NPD7331 Phase 2
0.58 Remote Similarity NPD7638 Approved
0.5795 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5778 Remote Similarity NPD4790 Discontinued
0.5773 Remote Similarity NPD6399 Phase 3
0.5766 Remote Similarity NPD7328 Approved
0.5766 Remote Similarity NPD7327 Approved
0.5761 Remote Similarity NPD3133 Approved
0.5761 Remote Similarity NPD3666 Approved
0.5761 Remote Similarity NPD3665 Phase 1
0.575 Remote Similarity NPD3197 Phase 1
0.5743 Remote Similarity NPD7640 Approved
0.5743 Remote Similarity NPD7639 Approved
0.5729 Remote Similarity NPD7136 Phase 2
0.5714 Remote Similarity NPD7516 Approved
0.5714 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5714 Remote Similarity NPD585 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6685 Approved
0.5714 Remote Similarity NPD4269 Approved
0.5714 Remote Similarity NPD4270 Approved
0.57 Remote Similarity NPD6084 Phase 2
0.57 Remote Similarity NPD6083 Phase 2
0.5679 Remote Similarity NPD7341 Phase 2
0.5676 Remote Similarity NPD7115 Discovery
0.5667 Remote Similarity NPD4748 Discontinued
0.5664 Remote Similarity NPD6059 Approved
0.5664 Remote Similarity NPD8294 Approved
0.5664 Remote Similarity NPD6054 Approved
0.5664 Remote Similarity NPD8377 Approved
0.5638 Remote Similarity NPD3618 Phase 1
0.5638 Remote Similarity NPD5279 Phase 3
0.5638 Remote Similarity NPD5786 Approved
0.5632 Remote Similarity NPD4190 Phase 3
0.5632 Remote Similarity NPD5275 Approved
0.5625 Remote Similarity NPD5328 Approved
0.5625 Remote Similarity NPD4753 Phase 2
0.5619 Remote Similarity NPD5739 Approved
0.5619 Remote Similarity NPD6402 Approved
0.5619 Remote Similarity NPD7128 Approved
0.5619 Remote Similarity NPD6675 Approved
0.5614 Remote Similarity NPD8516 Approved
0.5614 Remote Similarity NPD8517 Approved
0.5614 Remote Similarity NPD8378 Approved
0.5614 Remote Similarity NPD8380 Approved
0.5614 Remote Similarity NPD8296 Approved
0.5614 Remote Similarity NPD8513 Phase 3
0.5614 Remote Similarity NPD8379 Approved
0.5614 Remote Similarity NPD7503 Approved
0.5614 Remote Similarity NPD8515 Approved
0.5614 Remote Similarity NPD8033 Approved
0.5614 Remote Similarity NPD8335 Approved
0.5612 Remote Similarity NPD4202 Approved
0.56 Remote Similarity NPD7839 Suspended
0.56 Remote Similarity NPD4792 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3634658
ZINC  

Physicochemical Properties

Molecular Weight:  322.25
ALogP:  1.6945
MLogP:  3.33
XLogP:  3.772
# Rotatable Bonds:  7
Polar Surface Area:  41.99
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  23

Download Data

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