Natural Product: NPC48305

Natural Product ID:  NPC48305
Common Name:   Anabsinthin
IUPAC Name:  
Synonyms:   Anabsinthin
Molecular Formula:   C30H40O6
Standard InCHIKey:  XDKZYFZYOVAAKJ-VXVJPEHISA-N
Standard InCHI:  InChI=1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17+,19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m0/s1
Canonical SMILES:  C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@@]42[C@H]2OC(=O)[C@H]([C@@H]2CC[C@@]3(O[C@]4(C1)C)C)C)(C)O
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
NPO32823 artemisia caruifolia Species Asteraceae Eukaryota PMID[11141102]
NPO5087 Daphne oleoides Species Thymelaeaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT202 Individual Protein Protease Human immunodeficiency virus 1 Inhibition = 22 % 11141102

  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 NPC48305 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 NPC474923
0.9439 High Similarity NPC475238
0.9429 High Similarity NPC23967
0.9038 High Similarity NPC252234
0.8857 High Similarity NPC475217
0.8571 High Similarity NPC36754
0.8559 High Similarity NPC471382
0.8496 Intermediate Similarity NPC161060
0.8291 Intermediate Similarity NPC129992
0.8273 Intermediate Similarity NPC475588
0.8174 Intermediate Similarity NPC475372
0.8103 Intermediate Similarity NPC312536
0.807 Intermediate Similarity NPC471380
0.807 Intermediate Similarity NPC123117
0.8036 Intermediate Similarity NPC471884
0.7931 Intermediate Similarity NPC475323
0.7931 Intermediate Similarity NPC473656
0.7833 Intermediate Similarity NPC469352
0.7719 Intermediate Similarity NPC475463
0.7672 Intermediate Similarity NPC209058
0.7672 Intermediate Similarity NPC312017
0.7672 Intermediate Similarity NPC9848
0.7664 Intermediate Similarity NPC67584
0.7661 Intermediate Similarity NPC475371
0.7658 Intermediate Similarity NPC474775
0.7658 Intermediate Similarity NPC36688
0.7593 Intermediate Similarity NPC213078
0.757 Intermediate Similarity NPC323008
0.757 Intermediate Similarity NPC262133
0.757 Intermediate Similarity NPC470010
0.757 Intermediate Similarity NPC127019
0.757 Intermediate Similarity NPC477131
0.757 Intermediate Similarity NPC198853
0.757 Intermediate Similarity NPC470013
0.7547 Intermediate Similarity NPC133698
0.7523 Intermediate Similarity NPC161493
0.7521 Intermediate Similarity NPC473535
0.75 Intermediate Similarity NPC213698
0.75 Intermediate Similarity NPC52044
0.7456 Intermediate Similarity NPC473173
0.7456 Intermediate Similarity NPC469318
0.7453 Intermediate Similarity NPC297474
0.7453 Intermediate Similarity NPC54065
0.7438 Intermediate Similarity NPC143755
0.7434 Intermediate Similarity NPC473577
0.7434 Intermediate Similarity NPC474550
0.7434 Intermediate Similarity NPC475585
0.7431 Intermediate Similarity NPC475304
0.7431 Intermediate Similarity NPC24956
0.7431 Intermediate Similarity NPC18019
0.7429 Intermediate Similarity NPC79549
0.7414 Intermediate Similarity NPC475134
0.7414 Intermediate Similarity NPC475563
0.7414 Intermediate Similarity NPC179642
0.7411 Intermediate Similarity NPC86077
0.7407 Intermediate Similarity NPC471720
0.7391 Intermediate Similarity NPC255082
0.7383 Intermediate Similarity NPC63193
0.7383 Intermediate Similarity NPC57304
0.7383 Intermediate Similarity NPC293001
0.7383 Intermediate Similarity NPC35959
0.7383 Intermediate Similarity NPC131209
0.7383 Intermediate Similarity NPC171360
0.7383 Intermediate Similarity NPC133888
0.7383 Intermediate Similarity NPC29821
0.7368 Intermediate Similarity NPC475290
0.7368 Intermediate Similarity NPC179891
0.7364 Intermediate Similarity NPC254121
0.7358 Intermediate Similarity NPC215556
0.7358 Intermediate Similarity NPC32922
0.7358 Intermediate Similarity NPC155935
0.7355 Intermediate Similarity NPC472667
0.735 Intermediate Similarity NPC473921
0.735 Intermediate Similarity NPC475480
0.735 Intermediate Similarity NPC174471
0.735 Intermediate Similarity NPC475668
0.735 Intermediate Similarity NPC96739
0.735 Intermediate Similarity NPC474871
0.735 Intermediate Similarity NPC260786
0.7339 Intermediate Similarity NPC469873
0.7339 Intermediate Similarity NPC37408
0.7339 Intermediate Similarity NPC144625
0.7339 Intermediate Similarity NPC170120
0.7328 Intermediate Similarity NPC273433
0.7302 Intermediate Similarity NPC470850
0.7297 Intermediate Similarity NPC221615
0.7295 Intermediate Similarity NPC4548
0.729 Intermediate Similarity NPC35809
0.729 Intermediate Similarity NPC301969
0.729 Intermediate Similarity NPC216284
0.729 Intermediate Similarity NPC37607
0.7288 Intermediate Similarity NPC17138
0.7288 Intermediate Similarity NPC221511
0.7288 Intermediate Similarity NPC265499
0.7288 Intermediate Similarity NPC89227
0.7288 Intermediate Similarity NPC215643
0.7288 Intermediate Similarity NPC170212
0.7288 Intermediate Similarity NPC475391
0.7288 Intermediate Similarity NPC101825
0.7288 Intermediate Similarity NPC126691
0.7288 Intermediate Similarity NPC151216
0.7281 Intermediate Similarity NPC473526
0.7281 Intermediate Similarity NPC473701
0.7281 Intermediate Similarity NPC472227
0.7281 Intermediate Similarity NPC294259
0.7281 Intermediate Similarity NPC472228
0.7273 Intermediate Similarity NPC288679
0.7264 Intermediate Similarity NPC91248
0.7258 Intermediate Similarity NPC186339
0.7258 Intermediate Similarity NPC471392
0.7257 Intermediate Similarity NPC22388
0.7257 Intermediate Similarity NPC165250
0.7257 Intermediate Similarity NPC476081
0.725 Intermediate Similarity NPC138372
0.725 Intermediate Similarity NPC470793
0.725 Intermediate Similarity NPC106228
0.7244 Intermediate Similarity NPC13071
0.7241 Intermediate Similarity NPC308191
0.7232 Intermediate Similarity NPC274643
0.7232 Intermediate Similarity NPC474718
0.7232 Intermediate Similarity NPC108371
0.7232 Intermediate Similarity NPC476303
0.7227 Intermediate Similarity NPC474937
0.7227 Intermediate Similarity NPC71889
0.7222 Intermediate Similarity NPC475925
0.7222 Intermediate Similarity NPC249034
0.7222 Intermediate Similarity NPC155215
0.7222 Intermediate Similarity NPC150383
0.7217 Intermediate Similarity NPC220217
0.7217 Intermediate Similarity NPC475414
0.7217 Intermediate Similarity NPC60315
0.7217 Intermediate Similarity NPC119855
0.7217 Intermediate Similarity NPC472655
0.7217 Intermediate Similarity NPC173172
0.7213 Intermediate Similarity NPC477071
0.7213 Intermediate Similarity NPC469380
0.7212 Intermediate Similarity NPC154893
0.7212 Intermediate Similarity NPC16887
0.7212 Intermediate Similarity NPC53011
0.7212 Intermediate Similarity NPC37005
0.7207 Intermediate Similarity NPC108475
0.7207 Intermediate Similarity NPC213947
0.7207 Intermediate Similarity NPC477949
0.7207 Intermediate Similarity NPC170143
0.7196 Intermediate Similarity NPC212664
0.7196 Intermediate Similarity NPC283409
0.7193 Intermediate Similarity NPC475334
0.7193 Intermediate Similarity NPC475623
0.7193 Intermediate Similarity NPC473694
0.7193 Intermediate Similarity NPC168575
0.7193 Intermediate Similarity NPC140723
0.7193 Intermediate Similarity NPC476237
0.7182 Intermediate Similarity NPC292178
0.7182 Intermediate Similarity NPC304886
0.7182 Intermediate Similarity NPC472873
0.7182 Intermediate Similarity NPC163228
0.7182 Intermediate Similarity NPC86893
0.7179 Intermediate Similarity NPC472216
0.7179 Intermediate Similarity NPC477102
0.7179 Intermediate Similarity NPC284828
0.7179 Intermediate Similarity NPC5475
0.7179 Intermediate Similarity NPC173905
0.7177 Intermediate Similarity NPC192309
0.717 Intermediate Similarity NPC24728
0.7168 Intermediate Similarity NPC171759
0.7168 Intermediate Similarity NPC150923
0.7167 Intermediate Similarity NPC474872
0.7165 Intermediate Similarity NPC172823
0.7156 Intermediate Similarity NPC473273
0.7156 Intermediate Similarity NPC60386
0.7156 Intermediate Similarity NPC473234
0.7156 Intermediate Similarity NPC258216
0.7156 Intermediate Similarity NPC308656
0.7156 Intermediate Similarity NPC473263
0.7156 Intermediate Similarity NPC135776
0.7155 Intermediate Similarity NPC475176
0.7155 Intermediate Similarity NPC475781
0.7155 Intermediate Similarity NPC131665
0.7155 Intermediate Similarity NPC255387
0.7155 Intermediate Similarity NPC26617
0.7155 Intermediate Similarity NPC59530
0.7155 Intermediate Similarity NPC64844
0.7155 Intermediate Similarity NPC302788
0.7155 Intermediate Similarity NPC42847
0.7154 Intermediate Similarity NPC17938
0.7154 Intermediate Similarity NPC474585
0.7143 Intermediate Similarity NPC216478
0.7143 Intermediate Similarity NPC284534
0.7143 Intermediate Similarity NPC204105
0.7143 Intermediate Similarity NPC473155
0.7143 Intermediate Similarity NPC470063
0.7143 Intermediate Similarity NPC63186
0.7143 Intermediate Similarity NPC476163
0.7143 Intermediate Similarity NPC300082
0.7131 Intermediate Similarity NPC159928
0.7131 Intermediate Similarity NPC113448
0.713 Intermediate Similarity NPC121518
0.713 Intermediate Similarity NPC103298
0.713 Intermediate Similarity NPC475331
0.713 Intermediate Similarity NPC28656

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC48305 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
0.7155 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6053 Discontinued
0.7119 Intermediate Similarity NPD6371 Approved
0.7037 Intermediate Similarity NPD1695 Approved
0.6991 Remote Similarity NPD7638 Approved
0.693 Remote Similarity NPD7639 Approved
0.693 Remote Similarity NPD7640 Approved
0.6923 Remote Similarity NPD6008 Approved
0.681 Remote Similarity NPD7632 Discontinued
0.6807 Remote Similarity NPD7320 Approved
0.6744 Remote Similarity NPD7507 Approved
0.6696 Remote Similarity NPD6399 Phase 3
0.6694 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6402 Approved
0.6639 Remote Similarity NPD7128 Approved
0.6639 Remote Similarity NPD5739 Approved
0.6639 Remote Similarity NPD6675 Approved
0.6636 Remote Similarity NPD5362 Discontinued
0.6612 Remote Similarity NPD6372 Approved
0.6612 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6612 Remote Similarity NPD6373 Approved
0.6591 Remote Similarity NPD7319 Approved
0.6579 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6565 Remote Similarity NPD7078 Approved
0.6545 Remote Similarity NPD4251 Approved
0.6545 Remote Similarity NPD4250 Approved
0.6529 Remote Similarity NPD6881 Approved
0.6529 Remote Similarity NPD6899 Approved
0.6508 Remote Similarity NPD7115 Discovery
0.6504 Remote Similarity NPD6649 Approved
0.6504 Remote Similarity NPD6650 Approved
0.646 Remote Similarity NPD8034 Phase 2
0.646 Remote Similarity NPD8035 Phase 2
0.6457 Remote Similarity NPD7327 Approved
0.6457 Remote Similarity NPD7328 Approved
0.6455 Remote Similarity NPD4249 Approved
0.6446 Remote Similarity NPD5697 Approved
0.6446 Remote Similarity NPD5701 Approved
0.6446 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6441 Remote Similarity NPD1700 Approved
0.6435 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6434 Remote Similarity NPD8033 Approved
0.6423 Remote Similarity NPD6883 Approved
0.6423 Remote Similarity NPD7290 Approved
0.6423 Remote Similarity NPD7102 Approved
0.6412 Remote Similarity NPD7492 Approved
0.6406 Remote Similarity NPD7516 Approved
0.6372 Remote Similarity NPD5785 Approved
0.6371 Remote Similarity NPD6869 Approved
0.6371 Remote Similarity NPD8130 Phase 1
0.6371 Remote Similarity NPD6847 Approved
0.6371 Remote Similarity NPD6617 Approved
0.6364 Remote Similarity NPD6616 Approved
0.6357 Remote Similarity NPD8377 Approved
0.6357 Remote Similarity NPD6054 Approved
0.6357 Remote Similarity NPD8294 Approved
0.6357 Remote Similarity NPD6059 Approved
0.6341 Remote Similarity NPD6013 Approved
0.6341 Remote Similarity NPD6014 Approved
0.6341 Remote Similarity NPD6012 Approved
0.6325 Remote Similarity NPD6084 Phase 2
0.6325 Remote Similarity NPD6083 Phase 2
0.632 Remote Similarity NPD6882 Approved
0.632 Remote Similarity NPD8297 Approved
0.6316 Remote Similarity NPD8293 Discontinued
0.6308 Remote Similarity NPD8296 Approved
0.6308 Remote Similarity NPD8380 Approved
0.6308 Remote Similarity NPD8335 Approved
0.6308 Remote Similarity NPD8379 Approved
0.6308 Remote Similarity NPD8378 Approved
0.6296 Remote Similarity NPD4790 Discontinued
0.6293 Remote Similarity NPD5695 Phase 3
0.6271 Remote Similarity NPD5696 Approved
0.6271 Remote Similarity NPD4225 Approved
0.627 Remote Similarity NPD4632 Approved
0.627 Remote Similarity NPD8133 Approved
0.6269 Remote Similarity NPD7736 Approved
0.626 Remote Similarity NPD6011 Approved
0.626 Remote Similarity NPD6370 Approved
0.624 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6231 Remote Similarity NPD6319 Approved
0.6207 Remote Similarity NPD5282 Discontinued
0.6204 Remote Similarity NPD4820 Approved
0.6204 Remote Similarity NPD4821 Approved
0.6204 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6204 Remote Similarity NPD4822 Approved
0.6204 Remote Similarity NPD4819 Approved
0.6195 Remote Similarity NPD6903 Approved
0.6186 Remote Similarity NPD4755 Approved
0.6183 Remote Similarity NPD6015 Approved
0.6183 Remote Similarity NPD6016 Approved
0.6182 Remote Similarity NPD5332 Approved
0.6182 Remote Similarity NPD7154 Phase 3
0.6182 Remote Similarity NPD5331 Approved
0.6148 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6148 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6147 Remote Similarity NPD5369 Approved
0.614 Remote Similarity NPD6051 Approved
0.6136 Remote Similarity NPD5988 Approved
0.6129 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6129 Remote Similarity NPD6686 Approved
0.6124 Remote Similarity NPD6009 Approved
0.6121 Remote Similarity NPD4202 Approved
0.6116 Remote Similarity NPD5211 Phase 2
0.6091 Remote Similarity NPD4270 Approved
0.6091 Remote Similarity NPD6435 Approved
0.6091 Remote Similarity NPD4269 Approved
0.609 Remote Similarity NPD7604 Phase 2
0.6087 Remote Similarity NPD6698 Approved
0.6087 Remote Similarity NPD46 Approved
0.6083 Remote Similarity NPD4696 Approved
0.6083 Remote Similarity NPD5285 Approved
0.6083 Remote Similarity NPD5286 Approved
0.6083 Remote Similarity NPD4700 Approved
0.608 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6071 Remote Similarity NPD1694 Approved
0.6071 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6068 Remote Similarity NPD6001 Approved
0.6061 Remote Similarity NPD7503 Approved
0.6061 Remote Similarity NPD5983 Phase 2
0.6061 Remote Similarity NPD6291 Clinical (unspecified phase)
0.605 Remote Similarity NPD7902 Approved
0.6048 Remote Similarity NPD6412 Phase 2
0.6047 Remote Similarity NPD6274 Approved
0.6034 Remote Similarity NPD5284 Approved
0.6034 Remote Similarity NPD5693 Phase 1
0.6034 Remote Similarity NPD7637 Suspended
0.6034 Remote Similarity NPD5281 Approved
0.6031 Remote Similarity NPD7100 Approved
0.6031 Remote Similarity NPD7101 Approved
0.6019 Remote Similarity NPD4271 Approved
0.6019 Remote Similarity NPD6115 Approved
0.6019 Remote Similarity NPD6118 Approved
0.6019 Remote Similarity NPD6114 Approved
0.6019 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6019 Remote Similarity NPD4268 Approved
0.6019 Remote Similarity NPD6697 Approved
0.6018 Remote Similarity NPD5786 Approved
0.6018 Remote Similarity NPD7521 Approved
0.6018 Remote Similarity NPD6409 Approved
0.6018 Remote Similarity NPD7146 Approved
0.6018 Remote Similarity NPD7334 Approved
0.6018 Remote Similarity NPD6684 Approved
0.6018 Remote Similarity NPD5330 Approved
0.6016 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD6336 Discontinued
0.5984 Remote Similarity NPD5224 Approved
0.5984 Remote Similarity NPD4633 Approved
0.5984 Remote Similarity NPD5225 Approved
0.5984 Remote Similarity NPD5226 Approved
0.5983 Remote Similarity NPD5779 Approved
0.5983 Remote Similarity NPD5778 Approved
0.5982 Remote Similarity NPD4786 Approved
0.5971 Remote Similarity NPD6845 Suspended
0.5954 Remote Similarity NPD6335 Approved
0.5948 Remote Similarity NPD5207 Approved
0.594 Remote Similarity NPD8516 Approved
0.594 Remote Similarity NPD8515 Approved
0.594 Remote Similarity NPD8517 Approved
0.594 Remote Similarity NPD6909 Approved
0.594 Remote Similarity NPD6908 Approved
0.594 Remote Similarity NPD8513 Phase 3
0.5935 Remote Similarity NPD5174 Approved
0.5935 Remote Similarity NPD5175 Approved
0.5932 Remote Similarity NPD7748 Approved
0.5929 Remote Similarity NPD5363 Approved
0.5926 Remote Similarity NPD6116 Phase 1
0.5913 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5912 Remote Similarity NPD6033 Approved
0.5909 Remote Similarity NPD5368 Approved
0.5909 Remote Similarity NPD4252 Approved
0.5906 Remote Similarity NPD4634 Approved
0.5902 Remote Similarity NPD5344 Discontinued
0.5902 Remote Similarity NPD5223 Approved
0.5878 Remote Similarity NPD6317 Approved
0.5878 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5877 Remote Similarity NPD6098 Approved
0.5877 Remote Similarity NPD3618 Phase 1
0.5862 Remote Similarity NPD4753 Phase 2
0.5862 Remote Similarity NPD6904 Approved
0.5862 Remote Similarity NPD5328 Approved
0.5862 Remote Similarity NPD6080 Approved
0.5862 Remote Similarity NPD6673 Approved
0.5859 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5852 Remote Similarity NPD6067 Discontinued
0.5841 Remote Similarity NPD7338 Clinical (unspecified phase)
0.584 Remote Similarity NPD4767 Approved
0.584 Remote Similarity NPD4768 Approved
0.5833 Remote Similarity NPD6117 Approved
0.5833 Remote Similarity NPD6314 Approved
0.5833 Remote Similarity NPD6313 Approved
0.582 Remote Similarity NPD6648 Approved
0.5806 Remote Similarity NPD4754 Approved
0.5804 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5804 Remote Similarity NPD3667 Approved
0.5798 Remote Similarity NPD7900 Approved
0.5798 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5789 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5786 Remote Similarity NPD7260 Phase 2

Structure

External Identifiers

PubChem CID   44558930
ChEMBL   CHEMBL502386
ZINC  

Physicochemical Properties

Molecular Weight:  496.28
ALogP:  0.3737
MLogP:  4.1
XLogP:  2.836
# Rotatable Bonds:  7
Polar Surface Area:  82.06
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  8
# Heavy Atoms:  36

Download Data

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