Natural Product: NPC307298

Natural Product ID:  NPC307298
Common Name:   n.a.
IUPAC Name:  
Synonyms:   7-O-Methylhorminone
Molecular Formula:   C21H30O4
Standard InCHIKey:  VJMBDMNFDPJFGJ-BHVCSQLQSA-N
Standard InCHI:  InChI=1S/C21H30O4/c1-11(2)14-17(22)15-12(25-6)10-13-20(3,4)8-7-9-21(13,5)16(15)19(24)18(14)23/h11-13,23H,7-10H2,1-6H3/t12-,13+,21+/m1/s1
Canonical SMILES:  CO[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(C2=C1C(=O)C(=C(C2=O)O)C(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
NPO16771 Amomum mindanaense Species Zingiberaceae Eukaryota UNPD*
NPO17735 Acinetobacter genospecies Species Moraxellaceae Bacteria UNPD*
NPO16703 Isodon lophanthoides Species Lamiaceae Eukaryota UNPD*
NPO16354 Allium scorodoprasum Species Amaryllidaceae Eukaryota UNPD*
NPO19645 Chironia krebsii Species Gentianaceae Eukaryota UNPD*
NPO6896 Haliclona fulva Species Chalinidae Eukaryota UNPD*
NPO18135 Clausena vestita Species Rutaceae Eukaryota UNPD*
NPO16538 Stylophorum diphyllum Species Papaveraceae Eukaryota UNPD*
NPO12583 Sauromatum giganteum Species Araceae Eukaryota UNPD*
NPO18319 Fraxinus japonica Species Oleaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens ED50 = 13 ug/ml 2778450
NPT168 Cell Line P388 Mus musculus ED50 = 4.8 ug/ml 2778450
NPT633 Organism Leishmania donovani Leishmania donovani IC50 > 10 ug/ml 26905523
NPT634 Organism Leishmania amazonensis Leishmania amazonensis IC50 > 10 ug/ml 26905523

  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 NPC307298 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
0.9762 High Similarity NPC113393
0.9535 High Similarity NPC271652
0.9405 High Similarity NPC220930
0.9405 High Similarity NPC272039
0.8723 High Similarity NPC80781
0.8636 High Similarity NPC53454
0.8554 High Similarity NPC30321
0.8537 High Similarity NPC92080
0.8427 Intermediate Similarity NPC143025
0.8352 Intermediate Similarity NPC73457
0.8333 Intermediate Similarity NPC280833
0.8295 Intermediate Similarity NPC8518
0.8295 Intermediate Similarity NPC132228
0.8295 Intermediate Similarity NPC263997
0.8256 Intermediate Similarity NPC55869
0.8222 Intermediate Similarity NPC476796
0.8172 Intermediate Similarity NPC474882
0.8161 Intermediate Similarity NPC103486
0.814 Intermediate Similarity NPC108955
0.809 Intermediate Similarity NPC6185
0.809 Intermediate Similarity NPC474680
0.809 Intermediate Similarity NPC241512
0.8085 Intermediate Similarity NPC295347
0.8065 Intermediate Similarity NPC211230
0.8065 Intermediate Similarity NPC141447
0.8046 Intermediate Similarity NPC116797
0.8023 Intermediate Similarity NPC192329
0.8023 Intermediate Similarity NPC475681
0.8022 Intermediate Similarity NPC230387
0.8022 Intermediate Similarity NPC58271
0.8 Intermediate Similarity NPC229717
0.8 Intermediate Similarity NPC472974
0.8 Intermediate Similarity NPC470955
0.7979 Intermediate Similarity NPC23170
0.7979 Intermediate Similarity NPC474328
0.7978 Intermediate Similarity NPC60951
0.7976 Intermediate Similarity NPC175079
0.7957 Intermediate Similarity NPC99380
0.7957 Intermediate Similarity NPC248913
0.7938 Intermediate Similarity NPC474012
0.7938 Intermediate Similarity NPC476299
0.7935 Intermediate Similarity NPC474918
0.7935 Intermediate Similarity NPC210216
0.7917 Intermediate Similarity NPC208094
0.7907 Intermediate Similarity NPC476808
0.7895 Intermediate Similarity NPC280725
0.7895 Intermediate Similarity NPC777
0.7889 Intermediate Similarity NPC79573
0.7889 Intermediate Similarity NPC255174
0.7889 Intermediate Similarity NPC32037
0.7879 Intermediate Similarity NPC320154
0.7865 Intermediate Similarity NPC105803
0.7865 Intermediate Similarity NPC258985
0.7857 Intermediate Similarity NPC476888
0.7857 Intermediate Similarity NPC93744
0.7857 Intermediate Similarity NPC472637
0.7857 Intermediate Similarity NPC470184
0.7849 Intermediate Similarity NPC38952
0.7849 Intermediate Similarity NPC472307
0.7849 Intermediate Similarity NPC474209
0.7849 Intermediate Similarity NPC475823
0.7841 Intermediate Similarity NPC474085
0.7841 Intermediate Similarity NPC282293
0.7841 Intermediate Similarity NPC225515
0.7835 Intermediate Similarity NPC316598
0.7826 Intermediate Similarity NPC24816
0.7826 Intermediate Similarity NPC185059
0.7826 Intermediate Similarity NPC475001
0.7816 Intermediate Similarity NPC281138
0.7812 Intermediate Similarity NPC17578
0.7812 Intermediate Similarity NPC476797
0.7812 Intermediate Similarity NPC94337
0.7812 Intermediate Similarity NPC240673
0.7812 Intermediate Similarity NPC328371
0.7802 Intermediate Similarity NPC475181
0.7802 Intermediate Similarity NPC194417
0.7802 Intermediate Similarity NPC322159
0.7802 Intermediate Similarity NPC94666
0.78 Intermediate Similarity NPC213366
0.7789 Intermediate Similarity NPC53685
0.7789 Intermediate Similarity NPC474555
0.7789 Intermediate Similarity NPC470697
0.7789 Intermediate Similarity NPC212812
0.7789 Intermediate Similarity NPC184870
0.7778 Intermediate Similarity NPC119601
0.7778 Intermediate Similarity NPC163249
0.7778 Intermediate Similarity NPC40918
0.7778 Intermediate Similarity NPC476890
0.7778 Intermediate Similarity NPC308726
0.7766 Intermediate Similarity NPC470036
0.7766 Intermediate Similarity NPC26865
0.7766 Intermediate Similarity NPC472975
0.7766 Intermediate Similarity NPC174167
0.7755 Intermediate Similarity NPC54705
0.7755 Intermediate Similarity NPC117685
0.7755 Intermediate Similarity NPC198880
0.7755 Intermediate Similarity NPC327431
0.7755 Intermediate Similarity NPC174314
0.7742 Intermediate Similarity NPC5509
0.7732 Intermediate Similarity NPC121402
0.7732 Intermediate Similarity NPC151681
0.7732 Intermediate Similarity NPC53844
0.7732 Intermediate Similarity NPC224356
0.7732 Intermediate Similarity NPC18319
0.7732 Intermediate Similarity NPC175351
0.7732 Intermediate Similarity NPC132753
0.7727 Intermediate Similarity NPC157895
0.7727 Intermediate Similarity NPC18955
0.7727 Intermediate Similarity NPC104120
0.7727 Intermediate Similarity NPC148685
0.7727 Intermediate Similarity NPC2482
0.7708 Intermediate Similarity NPC173875
0.7708 Intermediate Similarity NPC318282
0.7708 Intermediate Similarity NPC469995
0.7708 Intermediate Similarity NPC174948
0.7701 Intermediate Similarity NPC178852
0.77 Intermediate Similarity NPC131366
0.77 Intermediate Similarity NPC476889
0.7692 Intermediate Similarity NPC197823
0.7692 Intermediate Similarity NPC133652
0.7692 Intermediate Similarity NPC90287
0.7692 Intermediate Similarity NPC179006
0.7692 Intermediate Similarity NPC474853
0.7692 Intermediate Similarity NPC70685
0.7684 Intermediate Similarity NPC477435
0.7684 Intermediate Similarity NPC477436
0.7684 Intermediate Similarity NPC115021
0.7684 Intermediate Similarity NPC263780
0.7684 Intermediate Similarity NPC472930
0.7677 Intermediate Similarity NPC471075
0.7677 Intermediate Similarity NPC207885
0.7677 Intermediate Similarity NPC112613
0.7677 Intermediate Similarity NPC302537
0.7677 Intermediate Similarity NPC163372
0.7667 Intermediate Similarity NPC53733
0.766 Intermediate Similarity NPC48010
0.766 Intermediate Similarity NPC477147
0.766 Intermediate Similarity NPC8062
0.766 Intermediate Similarity NPC161638
0.766 Intermediate Similarity NPC477149
0.766 Intermediate Similarity NPC198818
0.766 Intermediate Similarity NPC51486
0.7653 Intermediate Similarity NPC478056
0.7653 Intermediate Similarity NPC147954
0.7647 Intermediate Similarity NPC472925
0.7647 Intermediate Similarity NPC91034
0.764 Intermediate Similarity NPC44963
0.764 Intermediate Similarity NPC472684
0.764 Intermediate Similarity NPC99308
0.764 Intermediate Similarity NPC14151
0.764 Intermediate Similarity NPC121984
0.7634 Intermediate Similarity NPC471724
0.7634 Intermediate Similarity NPC471722
0.7634 Intermediate Similarity NPC72397
0.7634 Intermediate Similarity NPC471791
0.7634 Intermediate Similarity NPC471793
0.7629 Intermediate Similarity NPC96859
0.7629 Intermediate Similarity NPC272411
0.7629 Intermediate Similarity NPC117133
0.7629 Intermediate Similarity NPC154526
0.7629 Intermediate Similarity NPC472362
0.7629 Intermediate Similarity NPC305483
0.7629 Intermediate Similarity NPC7124
0.7629 Intermediate Similarity NPC3772
0.7629 Intermediate Similarity NPC472363
0.7629 Intermediate Similarity NPC328162
0.7614 Intermediate Similarity NPC308038
0.7614 Intermediate Similarity NPC27817
0.7609 Intermediate Similarity NPC472986
0.7609 Intermediate Similarity NPC220478
0.7609 Intermediate Similarity NPC327115
0.7609 Intermediate Similarity NPC72133
0.7609 Intermediate Similarity NPC198761
0.7609 Intermediate Similarity NPC472985
0.7604 Intermediate Similarity NPC84893
0.7604 Intermediate Similarity NPC196485
0.7604 Intermediate Similarity NPC474554
0.7604 Intermediate Similarity NPC477439
0.7604 Intermediate Similarity NPC245972
0.7586 Intermediate Similarity NPC476811
0.7586 Intermediate Similarity NPC197659
0.7582 Intermediate Similarity NPC473246
0.7582 Intermediate Similarity NPC475193
0.7582 Intermediate Similarity NPC237712
0.7582 Intermediate Similarity NPC120158
0.7579 Intermediate Similarity NPC185936
0.7579 Intermediate Similarity NPC168027
0.7579 Intermediate Similarity NPC172101
0.7579 Intermediate Similarity NPC233116
0.7579 Intermediate Similarity NPC63748
0.7576 Intermediate Similarity NPC205899
0.7576 Intermediate Similarity NPC476933
0.7576 Intermediate Similarity NPC46761
0.7576 Intermediate Similarity NPC88198
0.7556 Intermediate Similarity NPC48362
0.7553 Intermediate Similarity NPC472688
0.7553 Intermediate Similarity NPC472489
0.7553 Intermediate Similarity NPC214387
0.7553 Intermediate Similarity NPC1015
0.7553 Intermediate Similarity NPC68148

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307298 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
0.7931 Intermediate Similarity NPD4695 Discontinued
0.7907 Intermediate Similarity NPD3617 Approved
0.7609 Intermediate Similarity NPD5279 Phase 3
0.7553 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD3618 Phase 1
0.7391 Intermediate Similarity NPD3666 Approved
0.7391 Intermediate Similarity NPD3133 Approved
0.7391 Intermediate Similarity NPD3665 Phase 1
0.7368 Intermediate Similarity NPD4753 Phase 2
0.7363 Intermediate Similarity NPD3667 Approved
0.7347 Intermediate Similarity NPD5695 Phase 3
0.7273 Intermediate Similarity NPD5221 Approved
0.7273 Intermediate Similarity NPD4697 Phase 3
0.7273 Intermediate Similarity NPD5222 Approved
0.7273 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7748 Approved
0.7234 Intermediate Similarity NPD5690 Phase 2
0.7234 Intermediate Similarity NPD4694 Approved
0.7234 Intermediate Similarity NPD5280 Approved
0.7216 Intermediate Similarity NPD7515 Phase 2
0.7204 Intermediate Similarity NPD4786 Approved
0.7204 Intermediate Similarity NPD4197 Approved
0.72 Intermediate Similarity NPD4755 Approved
0.72 Intermediate Similarity NPD5173 Approved
0.7188 Intermediate Similarity NPD5328 Approved
0.7128 Intermediate Similarity NPD5329 Approved
0.7128 Intermediate Similarity NPD1694 Approved
0.7087 Intermediate Similarity NPD5211 Phase 2
0.7083 Intermediate Similarity NPD5737 Approved
0.7083 Intermediate Similarity NPD6672 Approved
0.7059 Intermediate Similarity NPD4700 Approved
0.7059 Intermediate Similarity NPD5286 Approved
0.7059 Intermediate Similarity NPD4696 Approved
0.7059 Intermediate Similarity NPD5285 Approved
0.7053 Intermediate Similarity NPD4623 Approved
0.7053 Intermediate Similarity NPD4519 Discontinued
0.7041 Intermediate Similarity NPD5693 Phase 1
0.7041 Intermediate Similarity NPD6079 Approved
0.703 Intermediate Similarity NPD7902 Approved
0.703 Intermediate Similarity NPD6083 Phase 2
0.703 Intermediate Similarity NPD6084 Phase 2
0.7027 Intermediate Similarity NPD7115 Discovery
0.7021 Intermediate Similarity NPD3668 Phase 3
0.7 Intermediate Similarity NPD5210 Approved
0.7 Intermediate Similarity NPD4629 Approved
0.699 Remote Similarity NPD5223 Approved
0.6989 Remote Similarity NPD4221 Approved
0.6989 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4223 Phase 3
0.697 Remote Similarity NPD4202 Approved
0.697 Remote Similarity NPD6399 Phase 3
0.6961 Remote Similarity NPD5696 Approved
0.6961 Remote Similarity NPD7638 Approved
0.6961 Remote Similarity NPD4225 Approved
0.6952 Remote Similarity NPD5141 Approved
0.6923 Remote Similarity NPD5224 Approved
0.6923 Remote Similarity NPD4633 Approved
0.6923 Remote Similarity NPD5226 Approved
0.6923 Remote Similarity NPD5225 Approved
0.69 Remote Similarity NPD5282 Discontinued
0.6893 Remote Similarity NPD7639 Approved
0.6893 Remote Similarity NPD7640 Approved
0.6887 Remote Similarity NPD6402 Approved
0.6887 Remote Similarity NPD5739 Approved
0.6887 Remote Similarity NPD7128 Approved
0.6887 Remote Similarity NPD6675 Approved
0.6882 Remote Similarity NPD4692 Approved
0.6882 Remote Similarity NPD4139 Approved
0.6875 Remote Similarity NPD7146 Approved
0.6875 Remote Similarity NPD5330 Approved
0.6875 Remote Similarity NPD6684 Approved
0.6875 Remote Similarity NPD7521 Approved
0.6875 Remote Similarity NPD6409 Approved
0.6875 Remote Similarity NPD7334 Approved
0.6869 Remote Similarity NPD6411 Approved
0.6857 Remote Similarity NPD5174 Approved
0.6857 Remote Similarity NPD4754 Approved
0.6857 Remote Similarity NPD5175 Approved
0.6852 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3704 Approved
0.6822 Remote Similarity NPD5701 Approved
0.6822 Remote Similarity NPD5697 Approved
0.68 Remote Similarity NPD5133 Approved
0.6789 Remote Similarity NPD4634 Approved
0.6789 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6774 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5692 Phase 3
0.6768 Remote Similarity NPD5785 Approved
0.6762 Remote Similarity NPD7632 Discontinued
0.6759 Remote Similarity NPD6881 Approved
0.6759 Remote Similarity NPD7320 Approved
0.6759 Remote Similarity NPD6899 Approved
0.6759 Remote Similarity NPD6011 Approved
0.6735 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6735 Remote Similarity NPD6903 Approved
0.6733 Remote Similarity NPD7900 Approved
0.6733 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6729 Remote Similarity NPD4768 Approved
0.6729 Remote Similarity NPD4767 Approved
0.6701 Remote Similarity NPD4693 Phase 3
0.6701 Remote Similarity NPD4138 Approved
0.6701 Remote Similarity NPD4689 Approved
0.6701 Remote Similarity NPD5205 Approved
0.6701 Remote Similarity NPD4690 Approved
0.6701 Remote Similarity NPD4688 Approved
0.67 Remote Similarity NPD5281 Approved
0.67 Remote Similarity NPD5284 Approved
0.67 Remote Similarity NPD6050 Approved
0.67 Remote Similarity NPD5694 Approved
0.6697 Remote Similarity NPD6373 Approved
0.6697 Remote Similarity NPD6372 Approved
0.6697 Remote Similarity NPD6013 Approved
0.6697 Remote Similarity NPD6014 Approved
0.6697 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD6101 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6673 Approved
0.6636 Remote Similarity NPD7102 Approved
0.6636 Remote Similarity NPD7290 Approved
0.6636 Remote Similarity NPD6883 Approved
0.6634 Remote Similarity NPD5778 Approved
0.6634 Remote Similarity NPD5779 Approved
0.6632 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6606 Remote Similarity NPD4730 Approved
0.6606 Remote Similarity NPD4729 Approved
0.6606 Remote Similarity NPD5168 Approved
0.6606 Remote Similarity NPD5128 Approved
0.6598 Remote Similarity NPD1696 Phase 3
0.6577 Remote Similarity NPD8130 Phase 1
0.6577 Remote Similarity NPD6650 Approved
0.6577 Remote Similarity NPD6847 Approved
0.6577 Remote Similarity NPD6649 Approved
0.6577 Remote Similarity NPD6869 Approved
0.6577 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6617 Approved
0.6562 Remote Similarity NPD4788 Approved
0.6518 Remote Similarity NPD6882 Approved
0.6518 Remote Similarity NPD8297 Approved
0.6514 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6512 Remote Similarity NPD7341 Phase 2
0.6505 Remote Similarity NPD5654 Approved
0.6505 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6486 Remote Similarity NPD5169 Approved
0.6486 Remote Similarity NPD5250 Approved
0.6486 Remote Similarity NPD5248 Approved
0.6486 Remote Similarity NPD5251 Approved
0.6486 Remote Similarity NPD5135 Approved
0.6486 Remote Similarity NPD5249 Phase 3
0.6486 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6486 Remote Similarity NPD5247 Approved
0.6471 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6465 Remote Similarity NPD3573 Approved
0.646 Remote Similarity NPD4632 Approved
0.6455 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6686 Approved
0.6442 Remote Similarity NPD7614 Phase 1
0.6436 Remote Similarity NPD4096 Approved
0.6429 Remote Similarity NPD5216 Approved
0.6429 Remote Similarity NPD5127 Approved
0.6429 Remote Similarity NPD5215 Approved
0.6429 Remote Similarity NPD5217 Approved
0.6423 Remote Similarity NPD7260 Phase 2
0.641 Remote Similarity NPD6054 Approved
0.641 Remote Similarity NPD6319 Approved
0.641 Remote Similarity NPD6059 Approved
0.6404 Remote Similarity NPD4137 Phase 3
0.64 Remote Similarity NPD4518 Approved
0.6381 Remote Similarity NPD5959 Approved
0.6372 Remote Similarity NPD6053 Discontinued
0.6371 Remote Similarity NPD6845 Suspended
0.6364 Remote Similarity NPD6098 Approved
0.6364 Remote Similarity NPD6412 Phase 2
0.6356 Remote Similarity NPD6015 Approved
0.6356 Remote Similarity NPD6016 Approved
0.6348 Remote Similarity NPD6274 Approved
0.6348 Remote Similarity NPD6868 Approved
0.6346 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6344 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4747 Approved
0.6333 Remote Similarity NPD4789 Approved
0.6333 Remote Similarity NPD4691 Approved
0.6316 Remote Similarity NPD7645 Phase 2
0.6316 Remote Similarity NPD4195 Approved
0.6304 Remote Similarity NPD5733 Approved
0.6304 Remote Similarity NPD4687 Approved
0.6303 Remote Similarity NPD6370 Approved
0.6303 Remote Similarity NPD5988 Approved
0.6296 Remote Similarity NPD5091 Approved
0.6293 Remote Similarity NPD6317 Approved
0.6293 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6293 Remote Similarity NPD6009 Approved
0.6286 Remote Similarity NPD7732 Phase 3
0.6277 Remote Similarity NPD4756 Discovery
0.6275 Remote Similarity NPD5207 Approved
0.6273 Remote Similarity NPD6008 Approved
0.6264 Remote Similarity NPD5276 Approved
0.6263 Remote Similarity NPD5363 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL505683
ZINC  

Physicochemical Properties

Molecular Weight:  346.21
ALogP:  0.8767
MLogP:  3.33
XLogP:  4.888
# Rotatable Bonds:  9
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  25

Download Data

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