Natural Product: NPC280833

Natural Product ID:  NPC280833
Common Name:   7-Acetyl-12-Methoxy-11,14-Dioxoabieta-5,8,12-Triene
IUPAC Name:   [(4aS,9R)-6-methoxy-1,1,4a-trimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9-tetrahydrophenanthren-9-yl] acetate
Synonyms:   12-methyl-5-dehydroacetylhorminone
Molecular Formula:   C23H30O5
Standard InCHIKey:  KRHKKRFFQDNBIN-FATZIPQQSA-N
Standard InCHI:  InChI=1S/C23H30O5/c1-12(2)16-19(25)17-14(28-13(3)24)11-15-22(4,5)9-8-10-23(15,6)18(17)20(26)21(16)27-7/h11-12,14H,8-10H2,1-7H3/t14-,23+/m1/s1
Canonical SMILES:  COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C1=C[C@H]2OC(=O)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
NPO29303 Salvia multicaulis Species Lamiaceae Eukaryota PMID[9428161]
NPO29303 Salvia multicaulis Species Lamiaceae Eukaryota Root PMID[9428161]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 0.89 ug/ml 9428161
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 7.2 ug/ml 9428161
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae IZ > 7 mm 9428161

  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 NPC280833 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
0.8778 High Similarity NPC271652
0.875 High Similarity NPC53454
0.8353 Intermediate Similarity NPC150646
0.8352 Intermediate Similarity NPC113393
0.8333 Intermediate Similarity NPC307298
0.8295 Intermediate Similarity NPC474359
0.8202 Intermediate Similarity NPC90287
0.8182 Intermediate Similarity NPC222358
0.8111 Intermediate Similarity NPC220478
0.8085 Intermediate Similarity NPC470697
0.8085 Intermediate Similarity NPC148463
0.8065 Intermediate Similarity NPC166110
0.8061 Intermediate Similarity NPC80781
0.8 Intermediate Similarity NPC133652
0.8 Intermediate Similarity NPC189311
0.8 Intermediate Similarity NPC295347
0.7979 Intermediate Similarity NPC476598
0.7979 Intermediate Similarity NPC248193
0.7979 Intermediate Similarity NPC476597
0.7978 Intermediate Similarity NPC193198
0.7957 Intermediate Similarity NPC469372
0.7957 Intermediate Similarity NPC212679
0.7957 Intermediate Similarity NPC220454
0.7957 Intermediate Similarity NPC469595
0.7957 Intermediate Similarity NPC8062
0.7955 Intermediate Similarity NPC282293
0.7955 Intermediate Similarity NPC474085
0.7938 Intermediate Similarity NPC264378
0.7935 Intermediate Similarity NPC143025
0.7935 Intermediate Similarity NPC472302
0.7895 Intermediate Similarity NPC476596
0.7895 Intermediate Similarity NPC84893
0.7857 Intermediate Similarity NPC54705
0.7849 Intermediate Similarity NPC142159
0.7849 Intermediate Similarity NPC284561
0.7849 Intermediate Similarity NPC95364
0.7835 Intermediate Similarity NPC208094
0.7826 Intermediate Similarity NPC272039
0.7826 Intermediate Similarity NPC220930
0.7826 Intermediate Similarity NPC478144
0.7802 Intermediate Similarity NPC263997
0.7802 Intermediate Similarity NPC8518
0.7802 Intermediate Similarity NPC132228
0.7802 Intermediate Similarity NPC474680
0.7778 Intermediate Similarity NPC288281
0.7778 Intermediate Similarity NPC472643
0.7778 Intermediate Similarity NPC471699
0.7778 Intermediate Similarity NPC258985
0.7766 Intermediate Similarity NPC51486
0.7766 Intermediate Similarity NPC471818
0.7753 Intermediate Similarity NPC475833
0.7742 Intermediate Similarity NPC226863
0.7717 Intermediate Similarity NPC279859
0.7717 Intermediate Similarity NPC261721
0.7717 Intermediate Similarity NPC38576
0.7708 Intermediate Similarity NPC53685
0.7708 Intermediate Similarity NPC38830
0.7701 Intermediate Similarity NPC283087
0.7692 Intermediate Similarity NPC60951
0.7684 Intermediate Similarity NPC193396
0.7684 Intermediate Similarity NPC32944
0.7677 Intermediate Similarity NPC476299
0.7677 Intermediate Similarity NPC476933
0.7677 Intermediate Similarity NPC104861
0.7677 Intermediate Similarity NPC474012
0.7667 Intermediate Similarity NPC200513
0.7667 Intermediate Similarity NPC178676
0.766 Intermediate Similarity NPC5509
0.7653 Intermediate Similarity NPC53844
0.7653 Intermediate Similarity NPC84335
0.7653 Intermediate Similarity NPC38530
0.7634 Intermediate Similarity NPC477228
0.7634 Intermediate Similarity NPC478145
0.7634 Intermediate Similarity NPC125925
0.7629 Intermediate Similarity NPC209355
0.7629 Intermediate Similarity NPC777
0.7624 Intermediate Similarity NPC271059
0.7624 Intermediate Similarity NPC25666
0.7614 Intermediate Similarity NPC471220
0.7609 Intermediate Similarity NPC110405
0.7609 Intermediate Similarity NPC6185
0.7609 Intermediate Similarity NPC177932
0.7609 Intermediate Similarity NPC96621
0.7609 Intermediate Similarity NPC241512
0.7604 Intermediate Similarity NPC115021
0.7604 Intermediate Similarity NPC475657
0.76 Intermediate Similarity NPC469657
0.76 Intermediate Similarity NPC93744
0.76 Intermediate Similarity NPC476888
0.76 Intermediate Similarity NPC244456
0.7586 Intermediate Similarity NPC40353
0.7582 Intermediate Similarity NPC22611
0.7582 Intermediate Similarity NPC105803
0.7582 Intermediate Similarity NPC474703
0.7579 Intermediate Similarity NPC213636
0.7579 Intermediate Similarity NPC161638
0.7579 Intermediate Similarity NPC253177
0.7579 Intermediate Similarity NPC280592
0.7576 Intermediate Similarity NPC316598
0.7573 Intermediate Similarity NPC91034
0.7553 Intermediate Similarity NPC469653
0.7553 Intermediate Similarity NPC475902
0.7553 Intermediate Similarity NPC478259
0.7553 Intermediate Similarity NPC475906
0.7553 Intermediate Similarity NPC215831
0.7553 Intermediate Similarity NPC24816
0.7553 Intermediate Similarity NPC478261
0.7553 Intermediate Similarity NPC469628
0.7553 Intermediate Similarity NPC478260
0.7553 Intermediate Similarity NPC471047
0.7553 Intermediate Similarity NPC469631
0.7553 Intermediate Similarity NPC477128
0.7551 Intermediate Similarity NPC184065
0.7551 Intermediate Similarity NPC112654
0.7528 Intermediate Similarity NPC471299
0.7527 Intermediate Similarity NPC472009
0.7527 Intermediate Similarity NPC202394
0.7526 Intermediate Similarity NPC477129
0.7526 Intermediate Similarity NPC477130
0.7526 Intermediate Similarity NPC476415
0.7525 Intermediate Similarity NPC40918
0.7525 Intermediate Similarity NPC476890
0.75 Intermediate Similarity NPC472814
0.75 Intermediate Similarity NPC322903
0.75 Intermediate Similarity NPC177037
0.75 Intermediate Similarity NPC470036
0.75 Intermediate Similarity NPC174167
0.75 Intermediate Similarity NPC45579
0.75 Intermediate Similarity NPC174314
0.75 Intermediate Similarity NPC471329
0.75 Intermediate Similarity NPC472300
0.75 Intermediate Similarity NPC149869
0.75 Intermediate Similarity NPC219874
0.75 Intermediate Similarity NPC120158
0.75 Intermediate Similarity NPC471225
0.75 Intermediate Similarity NPC316500
0.75 Intermediate Similarity NPC473944
0.75 Intermediate Similarity NPC30486
0.75 Intermediate Similarity NPC117685
0.75 Intermediate Similarity NPC472644
0.75 Intermediate Similarity NPC296114
0.75 Intermediate Similarity NPC475193
0.7477 Intermediate Similarity NPC159333
0.7475 Intermediate Similarity NPC69385
0.7475 Intermediate Similarity NPC2049
0.7475 Intermediate Similarity NPC478233
0.7474 Intermediate Similarity NPC177141
0.7474 Intermediate Similarity NPC173042
0.7474 Intermediate Similarity NPC50070
0.7474 Intermediate Similarity NPC73995
0.7473 Intermediate Similarity NPC103486
0.7453 Intermediate Similarity NPC324683
0.7451 Intermediate Similarity NPC470954
0.7451 Intermediate Similarity NPC320154
0.7451 Intermediate Similarity NPC476889
0.7449 Intermediate Similarity NPC474490
0.7449 Intermediate Similarity NPC31021
0.7449 Intermediate Similarity NPC470978
0.7449 Intermediate Similarity NPC470974
0.7449 Intermediate Similarity NPC33473
0.7447 Intermediate Similarity NPC38885
0.7447 Intermediate Similarity NPC312561
0.7447 Intermediate Similarity NPC471739
0.7447 Intermediate Similarity NPC472007
0.7444 Intermediate Similarity NPC304795
0.7444 Intermediate Similarity NPC195424
0.7444 Intermediate Similarity NPC474956
0.7426 Intermediate Similarity NPC469851
0.7426 Intermediate Similarity NPC476478
0.7426 Intermediate Similarity NPC194028
0.7426 Intermediate Similarity NPC323441
0.7426 Intermediate Similarity NPC473384
0.7426 Intermediate Similarity NPC310981
0.7426 Intermediate Similarity NPC168319
0.7423 Intermediate Similarity NPC169343
0.7423 Intermediate Similarity NPC263780
0.7419 Intermediate Similarity NPC323765
0.7419 Intermediate Similarity NPC476678
0.7419 Intermediate Similarity NPC65661
0.7419 Intermediate Similarity NPC32037
0.7416 Intermediate Similarity NPC23778
0.7416 Intermediate Similarity NPC478247
0.7416 Intermediate Similarity NPC478246
0.7404 Intermediate Similarity NPC475294
0.74 Intermediate Similarity NPC222011
0.74 Intermediate Similarity NPC54843
0.74 Intermediate Similarity NPC176845
0.74 Intermediate Similarity NPC478056
0.7396 Intermediate Similarity NPC159748
0.7396 Intermediate Similarity NPC198818
0.7396 Intermediate Similarity NPC223093
0.7396 Intermediate Similarity NPC476369
0.7396 Intermediate Similarity NPC101651
0.7396 Intermediate Similarity NPC476437
0.7396 Intermediate Similarity NPC145666
0.7396 Intermediate Similarity NPC232426
0.7396 Intermediate Similarity NPC474209
0.7396 Intermediate Similarity NPC475823
0.7396 Intermediate Similarity NPC281942
0.7396 Intermediate Similarity NPC152467

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC280833 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
0.7742 Intermediate Similarity NPD6672 Approved
0.7742 Intermediate Similarity NPD5737 Approved
0.7684 Intermediate Similarity NPD5693 Phase 1
0.7667 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD1694 Approved
0.7449 Intermediate Similarity NPD5695 Phase 3
0.7396 Intermediate Similarity NPD5692 Phase 3
0.734 Intermediate Similarity NPD7521 Approved
0.734 Intermediate Similarity NPD6409 Approved
0.734 Intermediate Similarity NPD6684 Approved
0.734 Intermediate Similarity NPD5330 Approved
0.734 Intermediate Similarity NPD7146 Approved
0.734 Intermediate Similarity NPD7334 Approved
0.732 Intermediate Similarity NPD6050 Approved
0.732 Intermediate Similarity NPD5694 Approved
0.7292 Intermediate Similarity NPD6904 Approved
0.7292 Intermediate Similarity NPD6080 Approved
0.7292 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD6673 Approved
0.7253 Intermediate Similarity NPD4695 Discontinued
0.7188 Intermediate Similarity NPD6903 Approved
0.7188 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD6084 Phase 2
0.7129 Intermediate Similarity NPD6083 Phase 2
0.71 Intermediate Similarity NPD5654 Approved
0.7059 Intermediate Similarity NPD5696 Approved
0.7 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7900 Approved
0.7 Intermediate Similarity NPD7748 Approved
0.6979 Remote Similarity NPD6098 Approved
0.6979 Remote Similarity NPD5279 Phase 3
0.697 Remote Similarity NPD6411 Approved
0.6961 Remote Similarity NPD5959 Approved
0.6923 Remote Similarity NPD4756 Discovery
0.6915 Remote Similarity NPD5209 Approved
0.69 Remote Similarity NPD6399 Phase 3
0.6893 Remote Similarity NPD4225 Approved
0.6889 Remote Similarity NPD8039 Approved
0.6869 Remote Similarity NPD5785 Approved
0.6832 Remote Similarity NPD5282 Discontinued
0.6822 Remote Similarity NPD6675 Approved
0.6822 Remote Similarity NPD7128 Approved
0.6822 Remote Similarity NPD5739 Approved
0.6822 Remote Similarity NPD6402 Approved
0.6814 Remote Similarity NPD7115 Discovery
0.68 Remote Similarity NPD7515 Phase 2
0.6796 Remote Similarity NPD7902 Approved
0.6768 Remote Similarity NPD6101 Approved
0.6768 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6765 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6759 Remote Similarity NPD5697 Approved
0.6759 Remote Similarity NPD5701 Approved
0.6735 Remote Similarity NPD3573 Approved
0.6733 Remote Similarity NPD5779 Approved
0.6733 Remote Similarity NPD5778 Approved
0.6731 Remote Similarity NPD7638 Approved
0.67 Remote Similarity NPD5207 Approved
0.6697 Remote Similarity NPD7320 Approved
0.6697 Remote Similarity NPD6899 Approved
0.6697 Remote Similarity NPD6881 Approved
0.6697 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD3617 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD5208 Approved
0.6636 Remote Similarity NPD6012 Approved
0.6636 Remote Similarity NPD6372 Approved
0.6636 Remote Similarity NPD6013 Approved
0.6636 Remote Similarity NPD6373 Approved
0.6636 Remote Similarity NPD6014 Approved
0.6602 Remote Similarity NPD6356 Clinical (unspecified phase)
0.66 Remote Similarity NPD6051 Approved
0.66 Remote Similarity NPD4753 Phase 2
0.6598 Remote Similarity NPD3666 Approved
0.6598 Remote Similarity NPD3665 Phase 1
0.6598 Remote Similarity NPD3668 Phase 3
0.6598 Remote Similarity NPD3133 Approved
0.6577 Remote Similarity NPD7102 Approved
0.6577 Remote Similarity NPD7290 Approved
0.6577 Remote Similarity NPD6883 Approved
0.6562 Remote Similarity NPD3667 Approved
0.6552 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3704 Approved
0.6545 Remote Similarity NPD6686 Approved
0.6538 Remote Similarity NPD7732 Phase 3
0.6535 Remote Similarity NPD46 Approved
0.6535 Remote Similarity NPD6698 Approved
0.6518 Remote Similarity NPD6649 Approved
0.6518 Remote Similarity NPD6869 Approved
0.6518 Remote Similarity NPD6847 Approved
0.6518 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6518 Remote Similarity NPD6650 Approved
0.6518 Remote Similarity NPD6617 Approved
0.6518 Remote Similarity NPD8130 Phase 1
0.6514 Remote Similarity NPD6008 Approved
0.6495 Remote Similarity NPD7154 Phase 3
0.6471 Remote Similarity NPD5281 Approved
0.6471 Remote Similarity NPD5284 Approved
0.6465 Remote Similarity NPD5280 Approved
0.6465 Remote Similarity NPD4694 Approved
0.6465 Remote Similarity NPD3618 Phase 1
0.6465 Remote Similarity NPD5690 Phase 2
0.6465 Remote Similarity NPD3574 Clinical (unspecified phase)
0.646 Remote Similarity NPD6053 Discontinued
0.646 Remote Similarity NPD8297 Approved
0.646 Remote Similarity NPD6882 Approved
0.6455 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6437 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4786 Approved
0.6429 Remote Similarity NPD4197 Approved
0.6381 Remote Similarity NPD5222 Approved
0.6381 Remote Similarity NPD5221 Approved
0.6381 Remote Similarity NPD4697 Phase 3
0.6381 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5363 Approved
0.6364 Remote Similarity NPD5329 Approved
0.6356 Remote Similarity NPD6319 Approved
0.6354 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6001 Approved
0.6339 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6321 Remote Similarity NPD5173 Approved
0.6321 Remote Similarity NPD4755 Approved
0.6306 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6306 Remote Similarity NPD6614 Approved
0.63 Remote Similarity NPD4519 Discontinued
0.63 Remote Similarity NPD4623 Approved
0.6293 Remote Similarity NPD6274 Approved
0.6293 Remote Similarity NPD6868 Approved
0.6286 Remote Similarity NPD5210 Approved
0.6286 Remote Similarity NPD4629 Approved
0.6283 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6371 Approved
0.6283 Remote Similarity NPD2067 Discontinued
0.6275 Remote Similarity NPD5328 Approved
0.6263 Remote Similarity NPD6400 Clinical (unspecified phase)
0.625 Remote Similarity NPD5345 Clinical (unspecified phase)
0.624 Remote Similarity NPD7260 Phase 2
0.6239 Remote Similarity NPD5211 Phase 2
0.6239 Remote Similarity NPD7632 Discontinued
0.6239 Remote Similarity NPD6317 Approved
0.6226 Remote Similarity NPD7614 Phase 1
0.6224 Remote Similarity NPD4223 Phase 3
0.6224 Remote Similarity NPD4269 Approved
0.6224 Remote Similarity NPD4221 Approved
0.6224 Remote Similarity NPD4270 Approved
0.6207 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5286 Approved
0.6204 Remote Similarity NPD4700 Approved
0.6204 Remote Similarity NPD4696 Approved
0.6204 Remote Similarity NPD5285 Approved
0.6198 Remote Similarity NPD8328 Phase 3
0.6196 Remote Similarity NPD5276 Approved
0.6186 Remote Similarity NPD6314 Approved
0.6186 Remote Similarity NPD6335 Approved
0.6186 Remote Similarity NPD6313 Approved
0.6154 Remote Similarity NPD7637 Suspended
0.6154 Remote Similarity NPD6079 Approved
0.6154 Remote Similarity NPD4137 Phase 3
0.6148 Remote Similarity NPD7492 Approved
0.6147 Remote Similarity NPD5223 Approved
0.6146 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6139 Remote Similarity NPD5786 Approved
0.6134 Remote Similarity NPD7100 Approved
0.6134 Remote Similarity NPD7101 Approved
0.6126 Remote Similarity NPD5141 Approved
0.6122 Remote Similarity NPD5369 Approved
0.6121 Remote Similarity NPD4632 Approved
0.6102 Remote Similarity NPD6009 Approved
0.6098 Remote Similarity NPD6616 Approved
0.6095 Remote Similarity NPD4202 Approved
0.6095 Remote Similarity NPD5133 Approved
0.6091 Remote Similarity NPD5226 Approved
0.6091 Remote Similarity NPD5225 Approved
0.6091 Remote Similarity NPD4633 Approved
0.6091 Remote Similarity NPD5224 Approved
0.6087 Remote Similarity NPD4691 Approved
0.6087 Remote Similarity NPD4747 Approved
0.6083 Remote Similarity NPD6059 Approved
0.6083 Remote Similarity NPD6054 Approved
0.6064 Remote Similarity NPD5733 Approved
0.6064 Remote Similarity NPD4687 Approved
0.6063 Remote Similarity NPD6845 Suspended
0.6048 Remote Similarity NPD7078 Approved
0.6048 Remote Similarity NPD8293 Discontinued
0.604 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6052 Approved
0.6036 Remote Similarity NPD5175 Approved
0.6036 Remote Similarity NPD5174 Approved
0.6036 Remote Similarity NPD4754 Approved
0.6033 Remote Similarity NPD6016 Approved
0.6033 Remote Similarity NPD5983 Phase 2
0.6033 Remote Similarity NPD6015 Approved
0.6033 Remote Similarity NPD6909 Approved
0.6033 Remote Similarity NPD6908 Approved
0.602 Remote Similarity NPD4252 Approved
0.6018 Remote Similarity NPD6412 Phase 2
0.6 Remote Similarity NPD4634 Approved
0.6 Remote Similarity NPD5362 Discontinued
0.6 Remote Similarity NPD7736 Approved
0.6 Remote Similarity NPD6110 Phase 1

Structure

External Identifiers

PubChem CID   467787
ChEMBL   CHEMBL457940
ZINC  

Physicochemical Properties

Molecular Weight:  386.21
ALogP:  1.0593
MLogP:  3.44
XLogP:  4.317
# Rotatable Bonds:  11
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  28

Download Data

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