Natural Product: NPC170775

Natural Product ID:  NPC170775
Common Name:   Boscarterol G
IUPAC Name:   (4R,5S)-5-[(1S,1aR,4aR,7S,7aS,7bR)-7-hydroxy-1,7-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-1-yl]-4-hydroxy-2-methylcyclopent-2-en-1-one
Synonyms:  
Molecular Formula:   C20H28O3
Standard InCHIKey:  QEAMBMSEMFYHFI-TUBGJQBHSA-N
Standard InCHI:  InChI=1S/C20H28O3/c1-10-5-6-13-16(15-12(10)7-8-19(15,3)23)20(13,4)17-14(21)9-11(2)18(17)22/h9,12-17,21,23H,1,5-8H2,2-4H3/t12-,13+,14+,15-,16+,17-,19-,20-/m0/s1
Canonical SMILES:  O[C@@H]1C=C(C(=O)[C@H]1[C@@]1(C)[C@H]2[C@@H]1[C@@H]1[C@H](C(=C)CC2)CC[C@]1(C)O)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 PMID[24195447]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 10000 nM 19171796
NPT179 Cell Line A2780 Homo sapiens IC50 > 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 10000 nM 17470648
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 22168134
NPT2 Others Unspecified IC50 > 10000 nM Open TG-GATES in vivo data: Biochemistry

  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 NPC170775 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
0.8488 Intermediate Similarity NPC256750
0.8488 Intermediate Similarity NPC20262
0.8434 Intermediate Similarity NPC182848
0.8211 Intermediate Similarity NPC477949
0.8202 Intermediate Similarity NPC474853
0.8202 Intermediate Similarity NPC179006
0.8193 Intermediate Similarity NPC7382
0.8191 Intermediate Similarity NPC261341
0.8172 Intermediate Similarity NPC37816
0.8172 Intermediate Similarity NPC125180
0.814 Intermediate Similarity NPC301769
0.814 Intermediate Similarity NPC32758
0.8095 Intermediate Similarity NPC77501
0.8068 Intermediate Similarity NPC133844
0.8046 Intermediate Similarity NPC45495
0.8043 Intermediate Similarity NPC232747
0.8022 Intermediate Similarity NPC471657
0.8022 Intermediate Similarity NPC45957
0.8 Intermediate Similarity NPC469646
0.7976 Intermediate Similarity NPC471659
0.7959 Intermediate Similarity NPC477950
0.7935 Intermediate Similarity NPC474854
0.7935 Intermediate Similarity NPC477710
0.7931 Intermediate Similarity NPC7232
0.7931 Intermediate Similarity NPC472013
0.7931 Intermediate Similarity NPC476624
0.7912 Intermediate Similarity NPC194417
0.7912 Intermediate Similarity NPC476043
0.7907 Intermediate Similarity NPC276769
0.7882 Intermediate Similarity NPC251435
0.7882 Intermediate Similarity NPC474011
0.7879 Intermediate Similarity NPC25639
0.7849 Intermediate Similarity NPC41217
0.7849 Intermediate Similarity NPC477215
0.7849 Intermediate Similarity NPC476388
0.7841 Intermediate Similarity NPC471656
0.7841 Intermediate Similarity NPC164218
0.7802 Intermediate Similarity NPC476628
0.7791 Intermediate Similarity NPC215481
0.7791 Intermediate Similarity NPC471658
0.7778 Intermediate Similarity NPC62214
0.7767 Intermediate Similarity NPC47951
0.7766 Intermediate Similarity NPC2946
0.7766 Intermediate Similarity NPC477711
0.7753 Intermediate Similarity NPC136150
0.7738 Intermediate Similarity NPC471662
0.7732 Intermediate Similarity NPC29152
0.7727 Intermediate Similarity NPC261125
0.7727 Intermediate Similarity NPC181195
0.7727 Intermediate Similarity NPC229204
0.7708 Intermediate Similarity NPC167219
0.7708 Intermediate Similarity NPC90453
0.7708 Intermediate Similarity NPC298919
0.7701 Intermediate Similarity NPC476007
0.7701 Intermediate Similarity NPC86917
0.77 Intermediate Similarity NPC118405
0.7692 Intermediate Similarity NPC7927
0.7692 Intermediate Similarity NPC230527
0.7692 Intermediate Similarity NPC257240
0.7674 Intermediate Similarity NPC475771
0.7674 Intermediate Similarity NPC89374
0.7674 Intermediate Similarity NPC469678
0.7674 Intermediate Similarity NPC469669
0.766 Intermediate Similarity NPC472970
0.766 Intermediate Similarity NPC123912
0.766 Intermediate Similarity NPC472971
0.766 Intermediate Similarity NPC2983
0.7653 Intermediate Similarity NPC156546
0.7647 Intermediate Similarity NPC275098
0.7629 Intermediate Similarity NPC476488
0.7629 Intermediate Similarity NPC476174
0.7629 Intermediate Similarity NPC476487
0.7614 Intermediate Similarity NPC475994
0.7614 Intermediate Similarity NPC476627
0.76 Intermediate Similarity NPC195192
0.76 Intermediate Similarity NPC304738
0.7596 Intermediate Similarity NPC475941
0.7596 Intermediate Similarity NPC474901
0.7582 Intermediate Similarity NPC65350
0.7582 Intermediate Similarity NPC474748
0.7579 Intermediate Similarity NPC49946
0.7579 Intermediate Similarity NPC306168
0.7576 Intermediate Similarity NPC141191
0.7558 Intermediate Similarity NPC167049
0.7558 Intermediate Similarity NPC469691
0.7556 Intermediate Similarity NPC171665
0.7556 Intermediate Similarity NPC47031
0.7553 Intermediate Similarity NPC58532
0.7553 Intermediate Similarity NPC472677
0.7551 Intermediate Similarity NPC185553
0.7547 Intermediate Similarity NPC138757
0.7547 Intermediate Similarity NPC123855
0.7547 Intermediate Similarity NPC76550
0.7529 Intermediate Similarity NPC471660
0.7529 Intermediate Similarity NPC469737
0.7528 Intermediate Similarity NPC84185
0.7528 Intermediate Similarity NPC66677
0.7528 Intermediate Similarity NPC471890
0.7527 Intermediate Similarity NPC469994
0.7526 Intermediate Similarity NPC53685
0.75 Intermediate Similarity NPC321187
0.75 Intermediate Similarity NPC227064
0.75 Intermediate Similarity NPC475796
0.75 Intermediate Similarity NPC475806
0.75 Intermediate Similarity NPC161423
0.75 Intermediate Similarity NPC329043
0.75 Intermediate Similarity NPC58841
0.7477 Intermediate Similarity NPC106395
0.7477 Intermediate Similarity NPC46269
0.7476 Intermediate Similarity NPC475661
0.7476 Intermediate Similarity NPC179891
0.7476 Intermediate Similarity NPC473488
0.7475 Intermediate Similarity NPC108475
0.7475 Intermediate Similarity NPC170143
0.7475 Intermediate Similarity NPC213947
0.7475 Intermediate Similarity NPC169205
0.7474 Intermediate Similarity NPC309603
0.7474 Intermediate Similarity NPC472477
0.7474 Intermediate Similarity NPC473999
0.7474 Intermediate Similarity NPC472475
0.7473 Intermediate Similarity NPC7414
0.7473 Intermediate Similarity NPC93590
0.7473 Intermediate Similarity NPC145963
0.7471 Intermediate Similarity NPC201263
0.7471 Intermediate Similarity NPC474885
0.747 Intermediate Similarity NPC477791
0.7451 Intermediate Similarity NPC168575
0.7449 Intermediate Similarity NPC469873
0.7449 Intermediate Similarity NPC472932
0.7447 Intermediate Similarity NPC287079
0.7444 Intermediate Similarity NPC824
0.7444 Intermediate Similarity NPC233352
0.7444 Intermediate Similarity NPC138492
0.7442 Intermediate Similarity NPC300940
0.7442 Intermediate Similarity NPC92909
0.7442 Intermediate Similarity NPC107783
0.7429 Intermediate Similarity NPC477102
0.7426 Intermediate Similarity NPC475099
0.7426 Intermediate Similarity NPC171759
0.7423 Intermediate Similarity NPC477520
0.7423 Intermediate Similarity NPC474736
0.7419 Intermediate Similarity NPC125290
0.7419 Intermediate Similarity NPC471224
0.7419 Intermediate Similarity NPC474083
0.7419 Intermediate Similarity NPC245434
0.7416 Intermediate Similarity NPC192006
0.7412 Intermediate Similarity NPC280256
0.7407 Intermediate Similarity NPC138303
0.7407 Intermediate Similarity NPC67290
0.7407 Intermediate Similarity NPC133677
0.74 Intermediate Similarity NPC166745
0.74 Intermediate Similarity NPC235464
0.74 Intermediate Similarity NPC109556
0.74 Intermediate Similarity NPC197386
0.7396 Intermediate Similarity NPC145666
0.7396 Intermediate Similarity NPC48010
0.7396 Intermediate Similarity NPC126993
0.7396 Intermediate Similarity NPC320026
0.7396 Intermediate Similarity NPC69622
0.7396 Intermediate Similarity NPC77337
0.7386 Intermediate Similarity NPC473437
0.7386 Intermediate Similarity NPC25908
0.7386 Intermediate Similarity NPC141346
0.7386 Intermediate Similarity NPC115719
0.7386 Intermediate Similarity NPC142759
0.7386 Intermediate Similarity NPC124289
0.7386 Intermediate Similarity NPC310643
0.7383 Intermediate Similarity NPC475970
0.7381 Intermediate Similarity NPC469679
0.7381 Intermediate Similarity NPC469688
0.7379 Intermediate Similarity NPC294259
0.7379 Intermediate Similarity NPC309190
0.7368 Intermediate Similarity NPC117122
0.7368 Intermediate Similarity NPC328313
0.7363 Intermediate Similarity NPC471661
0.7358 Intermediate Similarity NPC477103
0.7356 Intermediate Similarity NPC206875
0.7353 Intermediate Similarity NPC473424
0.7353 Intermediate Similarity NPC87351
0.7347 Intermediate Similarity NPC8993
0.7347 Intermediate Similarity NPC299100
0.7347 Intermediate Similarity NPC65829
0.734 Intermediate Similarity NPC472974
0.7333 Intermediate Similarity NPC164308
0.7333 Intermediate Similarity NPC201225
0.7333 Intermediate Similarity NPC308191
0.7333 Intermediate Similarity NPC308038
0.7327 Intermediate Similarity NPC154072
0.7327 Intermediate Similarity NPC470074
0.7326 Intermediate Similarity NPC474884
0.7326 Intermediate Similarity NPC29328
0.732 Intermediate Similarity NPC476705
0.732 Intermediate Similarity NPC473998
0.7312 Intermediate Similarity NPC214043
0.7312 Intermediate Similarity NPC473246
0.7312 Intermediate Similarity NPC472326
0.7312 Intermediate Similarity NPC82902
0.7312 Intermediate Similarity NPC476412
0.7312 Intermediate Similarity NPC85774
0.7303 Intermediate Similarity NPC472014

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC170775 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
0.7802 Intermediate Similarity NPD5363 Approved
0.7766 Intermediate Similarity NPD5785 Approved
0.7692 Intermediate Similarity NPD6371 Approved
0.7582 Intermediate Similarity NPD5362 Discontinued
0.75 Intermediate Similarity NPD3666 Approved
0.75 Intermediate Similarity NPD3665 Phase 1
0.75 Intermediate Similarity NPD3133 Approved
0.7473 Intermediate Similarity NPD4270 Approved
0.7473 Intermediate Similarity NPD4269 Approved
0.7416 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD4753 Phase 2
0.7283 Intermediate Similarity NPD4221 Approved
0.7283 Intermediate Similarity NPD4223 Phase 3
0.7273 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD4252 Approved
0.7245 Intermediate Similarity NPD4202 Approved
0.7184 Intermediate Similarity NPD5211 Phase 2
0.7174 Intermediate Similarity NPD5369 Approved
0.7158 Intermediate Similarity NPD5279 Phase 3
0.7158 Intermediate Similarity NPD5690 Phase 2
0.7158 Intermediate Similarity NPD5786 Approved
0.7128 Intermediate Similarity NPD4197 Approved
0.71 Intermediate Similarity NPD4629 Approved
0.71 Intermediate Similarity NPD5210 Approved
0.7053 Intermediate Similarity NPD5329 Approved
0.7048 Intermediate Similarity NPD5141 Approved
0.7021 Intermediate Similarity NPD5332 Approved
0.7021 Intermediate Similarity NPD5331 Approved
0.7021 Intermediate Similarity NPD4788 Approved
0.699 Remote Similarity NPD5285 Approved
0.699 Remote Similarity NPD5286 Approved
0.699 Remote Similarity NPD4696 Approved
0.6989 Remote Similarity NPD4790 Discontinued
0.6979 Remote Similarity NPD4138 Approved
0.6979 Remote Similarity NPD4693 Phase 3
0.6979 Remote Similarity NPD4688 Approved
0.6979 Remote Similarity NPD4689 Approved
0.6979 Remote Similarity NPD4694 Approved
0.6979 Remote Similarity NPD4690 Approved
0.6979 Remote Similarity NPD5205 Approved
0.6979 Remote Similarity NPD5280 Approved
0.6979 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6979 Remote Similarity NPD3618 Phase 1
0.697 Remote Similarity NPD6079 Approved
0.6961 Remote Similarity NPD4755 Approved
0.6947 Remote Similarity NPD4786 Approved
0.6939 Remote Similarity NPD5328 Approved
0.6923 Remote Similarity NPD5223 Approved
0.6916 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6915 Remote Similarity NPD3667 Approved
0.6915 Remote Similarity NPD5209 Approved
0.6882 Remote Similarity NPD4819 Approved
0.6882 Remote Similarity NPD4822 Approved
0.6882 Remote Similarity NPD4821 Approved
0.6882 Remote Similarity NPD4820 Approved
0.6875 Remote Similarity NPD1696 Phase 3
0.6857 Remote Similarity NPD4633 Approved
0.6857 Remote Similarity NPD5226 Approved
0.6857 Remote Similarity NPD5225 Approved
0.6857 Remote Similarity NPD5224 Approved
0.6837 Remote Similarity NPD4518 Approved
0.6832 Remote Similarity NPD5282 Discontinued
0.6827 Remote Similarity NPD4700 Approved
0.6804 Remote Similarity NPD4623 Approved
0.6804 Remote Similarity NPD4519 Discontinued
0.6796 Remote Similarity NPD6083 Phase 2
0.6796 Remote Similarity NPD6084 Phase 2
0.6792 Remote Similarity NPD5174 Approved
0.6792 Remote Similarity NPD5175 Approved
0.6774 Remote Similarity NPD4195 Approved
0.6768 Remote Similarity NPD1695 Approved
0.6765 Remote Similarity NPD5695 Phase 3
0.6733 Remote Similarity NPD5133 Approved
0.6727 Remote Similarity NPD4634 Approved
0.6702 Remote Similarity NPD5368 Approved
0.67 Remote Similarity NPD4096 Approved
0.6699 Remote Similarity NPD5221 Approved
0.6699 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6699 Remote Similarity NPD5222 Approved
0.6667 Remote Similarity NPD6903 Approved
0.6667 Remote Similarity NPD7115 Discovery
0.6667 Remote Similarity NPD7154 Phase 3
0.6667 Remote Similarity NPD4268 Approved
0.6667 Remote Similarity NPD4271 Approved
0.6636 Remote Similarity NPD4754 Approved
0.6635 Remote Similarity NPD5173 Approved
0.6634 Remote Similarity NPD5281 Approved
0.6634 Remote Similarity NPD5284 Approved
0.6633 Remote Similarity NPD5330 Approved
0.6633 Remote Similarity NPD7146 Approved
0.6633 Remote Similarity NPD7334 Approved
0.6633 Remote Similarity NPD6409 Approved
0.6633 Remote Similarity NPD7521 Approved
0.6633 Remote Similarity NPD6684 Approved
0.6606 Remote Similarity NPD5697 Approved
0.6602 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6571 Remote Similarity NPD5696 Approved
0.6562 Remote Similarity NPD6435 Approved
0.6562 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6899 Approved
0.6545 Remote Similarity NPD5128 Approved
0.6545 Remote Similarity NPD6881 Approved
0.6545 Remote Similarity NPD6011 Approved
0.6545 Remote Similarity NPD7320 Approved
0.6545 Remote Similarity NPD4729 Approved
0.6545 Remote Similarity NPD4730 Approved
0.6538 Remote Similarity NPD4697 Phase 3
0.6531 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6526 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6514 Remote Similarity NPD4768 Approved
0.6514 Remote Similarity NPD6675 Approved
0.6514 Remote Similarity NPD6402 Approved
0.6514 Remote Similarity NPD7128 Approved
0.6514 Remote Similarity NPD4767 Approved
0.6514 Remote Similarity NPD5739 Approved
0.6505 Remote Similarity NPD6001 Approved
0.65 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6013 Approved
0.6486 Remote Similarity NPD6012 Approved
0.6486 Remote Similarity NPD6014 Approved
0.6458 Remote Similarity NPD4692 Approved
0.6458 Remote Similarity NPD4139 Approved
0.6455 Remote Similarity NPD5701 Approved
0.6429 Remote Similarity NPD6883 Approved
0.6429 Remote Similarity NPD7102 Approved
0.6429 Remote Similarity NPD5249 Phase 3
0.6429 Remote Similarity NPD5135 Approved
0.6429 Remote Similarity NPD7290 Approved
0.6429 Remote Similarity NPD5169 Approved
0.6429 Remote Similarity NPD5251 Approved
0.6429 Remote Similarity NPD5248 Approved
0.6429 Remote Similarity NPD5247 Approved
0.6429 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5250 Approved
0.6413 Remote Similarity NPD6926 Approved
0.6413 Remote Similarity NPD6924 Approved
0.64 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6373 Remote Similarity NPD5207 Approved
0.6372 Remote Similarity NPD6650 Approved
0.6372 Remote Similarity NPD6869 Approved
0.6372 Remote Similarity NPD5217 Approved
0.6372 Remote Similarity NPD5215 Approved
0.6372 Remote Similarity NPD6649 Approved
0.6372 Remote Similarity NPD6847 Approved
0.6372 Remote Similarity NPD5127 Approved
0.6372 Remote Similarity NPD5216 Approved
0.6372 Remote Similarity NPD6617 Approved
0.6372 Remote Similarity NPD8130 Phase 1
0.6364 Remote Similarity NPD7331 Phase 2
0.6356 Remote Similarity NPD6054 Approved
0.6355 Remote Similarity NPD7639 Approved
0.6355 Remote Similarity NPD7640 Approved
0.6354 Remote Similarity NPD4695 Discontinued
0.6354 Remote Similarity NPD6931 Approved
0.6354 Remote Similarity NPD6930 Phase 2
0.6339 Remote Similarity NPD6373 Approved
0.6339 Remote Similarity NPD6372 Approved
0.6337 Remote Similarity NPD5208 Approved
0.6316 Remote Similarity NPD6882 Approved
0.6316 Remote Similarity NPD8297 Approved
0.6316 Remote Similarity NPD6053 Discontinued
0.6316 Remote Similarity NPD3617 Approved
0.6316 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7637 Suspended
0.6311 Remote Similarity NPD5693 Phase 1
0.6303 Remote Similarity NPD6016 Approved
0.6303 Remote Similarity NPD6015 Approved
0.63 Remote Similarity NPD4249 Approved
0.6289 Remote Similarity NPD6902 Approved
0.6277 Remote Similarity NPD6933 Approved
0.6277 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6275 Remote Similarity NPD6080 Approved
0.6275 Remote Similarity NPD6904 Approved
0.6275 Remote Similarity NPD6673 Approved
0.6271 Remote Similarity NPD4522 Approved
0.6263 Remote Similarity NPD3668 Phase 3
0.6262 Remote Similarity NPD7638 Approved
0.6262 Remote Similarity NPD4225 Approved
0.6261 Remote Similarity NPD4632 Approved
0.625 Remote Similarity NPD5988 Approved
0.625 Remote Similarity NPD6399 Phase 3
0.625 Remote Similarity NPD6929 Approved
0.625 Remote Similarity NPD7341 Phase 2
0.625 Remote Similarity NPD6370 Approved
0.6239 Remote Similarity NPD5091 Approved
0.6238 Remote Similarity NPD4250 Approved
0.6238 Remote Similarity NPD4251 Approved
0.6228 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6224 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6319 Approved
0.6218 Remote Similarity NPD6059 Approved
0.6216 Remote Similarity NPD6008 Approved
0.6214 Remote Similarity NPD5692 Phase 3
0.6207 Remote Similarity NPD5167 Approved
0.62 Remote Similarity NPD1694 Approved
0.6186 Remote Similarity NPD7514 Phase 3
0.6186 Remote Similarity NPD7332 Phase 2
0.6176 Remote Similarity NPD6672 Approved
0.6176 Remote Similarity NPD5737 Approved
0.6162 Remote Similarity NPD6695 Phase 3

Structure

External Identifiers

PubChem CID   76320823
ChEMBL   CHEMBL3087759
ZINC  

Physicochemical Properties

Molecular Weight:  316.20
ALogP:  1.0688
MLogP:  3.33
XLogP:  2.626
# Rotatable Bonds:  6
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  23

Download Data

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