Natural Product: NPC109414

Natural Product ID:  NPC109414
Common Name:   (3R,4S,5R,7S,9R)-3-Hydroxy-9-Isobutanoyloxysolavetivone
IUPAC Name:   [(2S,4R,5R,6S,7R)-7-hydroxy-6,10-dimethyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl] 2-methylpropanoate
Synonyms:  
Molecular Formula:   C19H28O4
Standard InCHIKey:  HNJISOISTGHIEE-PFFDZEIZSA-N
Standard InCHI:  InChI=1S/C19H28O4/c1-10(2)14-8-16(23-18(22)11(3)4)19(9-14)12(5)7-15(20)17(21)13(19)6/h7,11,13-14,16-17,21H,1,8-9H2,2-6H3/t13-,14-,16-,17-,19+/m1/s1
Canonical SMILES:  O=C(C(C)C)O[C@@H]1C[C@H](C[C@]21C(=CC(=O)[C@@H]([C@H]2C)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
NPO16093 Achillea atrata Species Asteraceae Eukaryota UNPD*
NPO25348 Metapochonia suchlasporia Species Clavicipitaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 250 ug/ml 9868154
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 250 ug/ml 9868154

  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 NPC109414 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
0.9556 High Similarity NPC69385
0.9451 High Similarity NPC222011
0.9186 High Similarity NPC36350
0.8763 High Similarity NPC235889
0.8673 High Similarity NPC181265
0.8586 High Similarity NPC44063
0.8511 High Similarity NPC469599
0.8421 Intermediate Similarity NPC305483
0.8421 Intermediate Similarity NPC96859
0.8421 Intermediate Similarity NPC328162
0.8416 Intermediate Similarity NPC241927
0.8416 Intermediate Similarity NPC258543
0.8416 Intermediate Similarity NPC2766
0.8351 Intermediate Similarity NPC472644
0.8351 Intermediate Similarity NPC476274
0.835 Intermediate Similarity NPC71348
0.8333 Intermediate Similarity NPC18509
0.8333 Intermediate Similarity NPC87090
0.8333 Intermediate Similarity NPC206595
0.8333 Intermediate Similarity NPC43747
0.8317 Intermediate Similarity NPC94529
0.8316 Intermediate Similarity NPC317586
0.8316 Intermediate Similarity NPC470016
0.8298 Intermediate Similarity NPC477435
0.8298 Intermediate Similarity NPC477436
0.8283 Intermediate Similarity NPC236390
0.8269 Intermediate Similarity NPC194100
0.8265 Intermediate Similarity NPC472643
0.8265 Intermediate Similarity NPC477356
0.8265 Intermediate Similarity NPC476223
0.8265 Intermediate Similarity NPC476240
0.8265 Intermediate Similarity NPC224720
0.8265 Intermediate Similarity NPC81530
0.8261 Intermediate Similarity NPC294480
0.8252 Intermediate Similarity NPC231589
0.8252 Intermediate Similarity NPC118860
0.8252 Intermediate Similarity NPC43775
0.8252 Intermediate Similarity NPC214797
0.8247 Intermediate Similarity NPC477355
0.8247 Intermediate Similarity NPC197386
0.8211 Intermediate Similarity NPC166906
0.8211 Intermediate Similarity NPC53685
0.8191 Intermediate Similarity NPC168027
0.8191 Intermediate Similarity NPC185936
0.8191 Intermediate Similarity NPC154101
0.8182 Intermediate Similarity NPC195290
0.8182 Intermediate Similarity NPC119601
0.8182 Intermediate Similarity NPC308726
0.8182 Intermediate Similarity NPC271266
0.8182 Intermediate Similarity NPC118405
0.8182 Intermediate Similarity NPC204450
0.8182 Intermediate Similarity NPC308351
0.8182 Intermediate Similarity NPC136289
0.8173 Intermediate Similarity NPC170487
0.8163 Intermediate Similarity NPC472972
0.8163 Intermediate Similarity NPC144956
0.8155 Intermediate Similarity NPC197428
0.8152 Intermediate Similarity NPC312215
0.8144 Intermediate Similarity NPC18319
0.8125 Intermediate Similarity NPC470974
0.8125 Intermediate Similarity NPC470978
0.8125 Intermediate Similarity NPC477438
0.8125 Intermediate Similarity NPC477437
0.8119 Intermediate Similarity NPC278628
0.8119 Intermediate Similarity NPC231530
0.8113 Intermediate Similarity NPC270958
0.8105 Intermediate Similarity NPC25750
0.8105 Intermediate Similarity NPC206810
0.81 Intermediate Similarity NPC159442
0.8095 Intermediate Similarity NPC202889
0.809 Intermediate Similarity NPC136150
0.8081 Intermediate Similarity NPC163372
0.8081 Intermediate Similarity NPC302537
0.8081 Intermediate Similarity NPC474327
0.8065 Intermediate Similarity NPC183546
0.8061 Intermediate Similarity NPC114274
0.8061 Intermediate Similarity NPC176845
0.8058 Intermediate Similarity NPC304495
0.8046 Intermediate Similarity NPC276769
0.8043 Intermediate Similarity NPC327115
0.8043 Intermediate Similarity NPC202394
0.8043 Intermediate Similarity NPC212843
0.8043 Intermediate Similarity NPC20688
0.8041 Intermediate Similarity NPC173272
0.8041 Intermediate Similarity NPC125622
0.8041 Intermediate Similarity NPC42042
0.8041 Intermediate Similarity NPC328371
0.8041 Intermediate Similarity NPC184065
0.8041 Intermediate Similarity NPC95565
0.8039 Intermediate Similarity NPC144854
0.8039 Intermediate Similarity NPC475294
0.8039 Intermediate Similarity NPC3316
0.8021 Intermediate Similarity NPC477439
0.802 Intermediate Similarity NPC137657
0.802 Intermediate Similarity NPC29705
0.802 Intermediate Similarity NPC96268
0.802 Intermediate Similarity NPC13385
0.8 Intermediate Similarity NPC56498
0.8 Intermediate Similarity NPC100267
0.8 Intermediate Similarity NPC221144
0.8 Intermediate Similarity NPC473928
0.8 Intermediate Similarity NPC475524
0.8 Intermediate Similarity NPC22388
0.798 Intermediate Similarity NPC205899
0.798 Intermediate Similarity NPC15390
0.798 Intermediate Similarity NPC218383
0.798 Intermediate Similarity NPC88198
0.7979 Intermediate Similarity NPC310010
0.7979 Intermediate Similarity NPC76879
0.7979 Intermediate Similarity NPC477943
0.7979 Intermediate Similarity NPC326627
0.7979 Intermediate Similarity NPC474679
0.7979 Intermediate Similarity NPC54689
0.7963 Intermediate Similarity NPC118638
0.7961 Intermediate Similarity NPC154608
0.7961 Intermediate Similarity NPC277017
0.7961 Intermediate Similarity NPC192813
0.7959 Intermediate Similarity NPC474343
0.7959 Intermediate Similarity NPC226986
0.7959 Intermediate Similarity NPC470834
0.7957 Intermediate Similarity NPC312561
0.7941 Intermediate Similarity NPC470267
0.7941 Intermediate Similarity NPC196528
0.7938 Intermediate Similarity NPC173875
0.7938 Intermediate Similarity NPC241156
0.7938 Intermediate Similarity NPC69548
0.7938 Intermediate Similarity NPC48330
0.7938 Intermediate Similarity NPC472932
0.7938 Intermediate Similarity NPC184848
0.7938 Intermediate Similarity NPC134067
0.7938 Intermediate Similarity NPC318282
0.7938 Intermediate Similarity NPC469995
0.7938 Intermediate Similarity NPC174948
0.7935 Intermediate Similarity NPC323765
0.7921 Intermediate Similarity NPC33973
0.7921 Intermediate Similarity NPC275583
0.7921 Intermediate Similarity NPC470839
0.7921 Intermediate Similarity NPC70967
0.7921 Intermediate Similarity NPC140723
0.7917 Intermediate Similarity NPC470375
0.7917 Intermediate Similarity NPC152897
0.7917 Intermediate Similarity NPC470376
0.7917 Intermediate Similarity NPC66429
0.7917 Intermediate Similarity NPC125180
0.7917 Intermediate Similarity NPC477361
0.7917 Intermediate Similarity NPC202824
0.7912 Intermediate Similarity NPC476082
0.7912 Intermediate Similarity NPC278648
0.7912 Intermediate Similarity NPC470948
0.79 Intermediate Similarity NPC99411
0.79 Intermediate Similarity NPC124211
0.7895 Intermediate Similarity NPC123854
0.7895 Intermediate Similarity NPC46281
0.7895 Intermediate Similarity NPC232426
0.7895 Intermediate Similarity NPC477149
0.7895 Intermediate Similarity NPC477147
0.7895 Intermediate Similarity NPC477711
0.7895 Intermediate Similarity NPC281942
0.7885 Intermediate Similarity NPC470615
0.7879 Intermediate Similarity NPC477813
0.7879 Intermediate Similarity NPC477854
0.7879 Intermediate Similarity NPC147954
0.7879 Intermediate Similarity NPC10364
0.7879 Intermediate Similarity NPC235464
0.7879 Intermediate Similarity NPC166745
0.7872 Intermediate Similarity NPC48866
0.7872 Intermediate Similarity NPC247406
0.7872 Intermediate Similarity NPC328539
0.787 Intermediate Similarity NPC471854
0.7864 Intermediate Similarity NPC220974
0.7864 Intermediate Similarity NPC472925
0.7857 Intermediate Similarity NPC192428
0.7857 Intermediate Similarity NPC477853
0.7857 Intermediate Similarity NPC477354
0.7849 Intermediate Similarity NPC31564
0.7849 Intermediate Similarity NPC6979
0.7849 Intermediate Similarity NPC145879
0.7849 Intermediate Similarity NPC195640
0.7849 Intermediate Similarity NPC474778
0.7849 Intermediate Similarity NPC474732
0.7849 Intermediate Similarity NPC51014
0.7849 Intermediate Similarity NPC474733
0.7849 Intermediate Similarity NPC232156
0.7849 Intermediate Similarity NPC155011
0.7843 Intermediate Similarity NPC470251
0.7843 Intermediate Similarity NPC2436
0.7843 Intermediate Similarity NPC135854
0.7843 Intermediate Similarity NPC28656
0.7843 Intermediate Similarity NPC216245
0.7835 Intermediate Similarity NPC196485
0.7835 Intermediate Similarity NPC111015
0.7835 Intermediate Similarity NPC184870
0.7835 Intermediate Similarity NPC245972
0.783 Intermediate Similarity NPC280782
0.7826 Intermediate Similarity NPC237712
0.7826 Intermediate Similarity NPC321187
0.7826 Intermediate Similarity NPC58841
0.7826 Intermediate Similarity NPC329043
0.7826 Intermediate Similarity NPC161423
0.7826 Intermediate Similarity NPC227064

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC109414 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
0.8673 High Similarity NPD7128 Approved
0.8673 High Similarity NPD6675 Approved
0.8673 High Similarity NPD6402 Approved
0.8673 High Similarity NPD5739 Approved
0.8586 High Similarity NPD5701 Approved
0.8586 High Similarity NPD5697 Approved
0.85 High Similarity NPD6011 Approved
0.85 High Similarity NPD7320 Approved
0.85 High Similarity NPD6899 Approved
0.85 High Similarity NPD6881 Approved
0.8416 Intermediate Similarity NPD6012 Approved
0.8416 Intermediate Similarity NPD6373 Approved
0.8416 Intermediate Similarity NPD6014 Approved
0.8416 Intermediate Similarity NPD6372 Approved
0.8416 Intermediate Similarity NPD6013 Approved
0.8333 Intermediate Similarity NPD6084 Phase 2
0.8333 Intermediate Similarity NPD7290 Approved
0.8333 Intermediate Similarity NPD6083 Phase 2
0.8333 Intermediate Similarity NPD6883 Approved
0.8333 Intermediate Similarity NPD7102 Approved
0.8333 Intermediate Similarity NPD4755 Approved
0.8316 Intermediate Similarity NPD5695 Phase 3
0.8252 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.8252 Intermediate Similarity NPD6650 Approved
0.8252 Intermediate Similarity NPD6617 Approved
0.8252 Intermediate Similarity NPD6869 Approved
0.8252 Intermediate Similarity NPD8130 Phase 1
0.8252 Intermediate Similarity NPD6649 Approved
0.8252 Intermediate Similarity NPD6847 Approved
0.8173 Intermediate Similarity NPD6882 Approved
0.8173 Intermediate Similarity NPD8297 Approved
0.8163 Intermediate Similarity NPD5286 Approved
0.8163 Intermediate Similarity NPD4700 Approved
0.8163 Intermediate Similarity NPD5285 Approved
0.8163 Intermediate Similarity NPD4696 Approved
0.8105 Intermediate Similarity NPD6399 Phase 3
0.8081 Intermediate Similarity NPD5223 Approved
0.8061 Intermediate Similarity NPD5696 Approved
0.8 Intermediate Similarity NPD5211 Phase 2
0.8 Intermediate Similarity NPD5226 Approved
0.8 Intermediate Similarity NPD5225 Approved
0.8 Intermediate Similarity NPD4633 Approved
0.8 Intermediate Similarity NPD5224 Approved
0.7979 Intermediate Similarity NPD4753 Phase 2
0.7944 Intermediate Similarity NPD6274 Approved
0.7925 Intermediate Similarity NPD4632 Approved
0.7921 Intermediate Similarity NPD5175 Approved
0.7921 Intermediate Similarity NPD4754 Approved
0.7921 Intermediate Similarity NPD5174 Approved
0.7872 Intermediate Similarity NPD6672 Approved
0.7872 Intermediate Similarity NPD5737 Approved
0.787 Intermediate Similarity NPD6317 Approved
0.7857 Intermediate Similarity NPD5221 Approved
0.7857 Intermediate Similarity NPD4697 Phase 3
0.7857 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD5222 Approved
0.7849 Intermediate Similarity NPD6684 Approved
0.7849 Intermediate Similarity NPD7146 Approved
0.7849 Intermediate Similarity NPD5279 Phase 3
0.7849 Intermediate Similarity NPD7521 Approved
0.7849 Intermediate Similarity NPD7334 Approved
0.7849 Intermediate Similarity NPD6409 Approved
0.7849 Intermediate Similarity NPD5330 Approved
0.7843 Intermediate Similarity NPD5141 Approved
0.7826 Intermediate Similarity NPD3665 Phase 1
0.7826 Intermediate Similarity NPD3666 Approved
0.7826 Intermediate Similarity NPD3133 Approved
0.7802 Intermediate Similarity NPD6435 Approved
0.7798 Intermediate Similarity NPD6314 Approved
0.7798 Intermediate Similarity NPD6335 Approved
0.7798 Intermediate Similarity NPD6313 Approved
0.7789 Intermediate Similarity NPD6904 Approved
0.7789 Intermediate Similarity NPD6080 Approved
0.7789 Intermediate Similarity NPD6673 Approved
0.7789 Intermediate Similarity NPD5328 Approved
0.7778 Intermediate Similarity NPD5173 Approved
0.7767 Intermediate Similarity NPD6008 Approved
0.7767 Intermediate Similarity NPD4768 Approved
0.7767 Intermediate Similarity NPD4767 Approved
0.7732 Intermediate Similarity NPD4202 Approved
0.7727 Intermediate Similarity NPD7100 Approved
0.7727 Intermediate Similarity NPD7101 Approved
0.7708 Intermediate Similarity NPD5692 Phase 3
0.7706 Intermediate Similarity NPD6009 Approved
0.7684 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD6903 Approved
0.7658 Intermediate Similarity NPD6319 Approved
0.7634 Intermediate Similarity NPD4197 Approved
0.7634 Intermediate Similarity NPD4786 Approved
0.7629 Intermediate Similarity NPD6079 Approved
0.7629 Intermediate Similarity NPD5281 Approved
0.7629 Intermediate Similarity NPD5284 Approved
0.7629 Intermediate Similarity NPD6050 Approved
0.7629 Intermediate Similarity NPD5693 Phase 1
0.7629 Intermediate Similarity NPD5694 Approved
0.7619 Intermediate Similarity NPD4730 Approved
0.7619 Intermediate Similarity NPD4729 Approved
0.7619 Intermediate Similarity NPD5128 Approved
0.7609 Intermediate Similarity NPD3667 Approved
0.7589 Intermediate Similarity NPD6908 Approved
0.7589 Intermediate Similarity NPD6909 Approved
0.7589 Intermediate Similarity NPD5983 Phase 2
0.7589 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD5368 Approved
0.7576 Intermediate Similarity NPD5210 Approved
0.7576 Intermediate Similarity NPD4629 Approved
0.7553 Intermediate Similarity NPD5329 Approved
0.7477 Intermediate Similarity NPD5249 Phase 3
0.7477 Intermediate Similarity NPD5248 Approved
0.7477 Intermediate Similarity NPD5135 Approved
0.7477 Intermediate Similarity NPD5169 Approved
0.7477 Intermediate Similarity NPD5250 Approved
0.7477 Intermediate Similarity NPD5251 Approved
0.7477 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD4634 Approved
0.7477 Intermediate Similarity NPD5247 Approved
0.7475 Intermediate Similarity NPD7748 Approved
0.7474 Intermediate Similarity NPD6098 Approved
0.7474 Intermediate Similarity NPD5280 Approved
0.7474 Intermediate Similarity NPD4694 Approved
0.7474 Intermediate Similarity NPD5690 Phase 2
0.7474 Intermediate Similarity NPD3618 Phase 1
0.7456 Intermediate Similarity NPD7604 Phase 2
0.7455 Intermediate Similarity NPD6868 Approved
0.7449 Intermediate Similarity NPD7515 Phase 2
0.7449 Intermediate Similarity NPD6411 Approved
0.7426 Intermediate Similarity NPD7902 Approved
0.7419 Intermediate Similarity NPD4223 Phase 3
0.7419 Intermediate Similarity NPD4221 Approved
0.7407 Intermediate Similarity NPD5217 Approved
0.7407 Intermediate Similarity NPD5216 Approved
0.7407 Intermediate Similarity NPD5215 Approved
0.7407 Intermediate Similarity NPD5127 Approved
0.74 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD4695 Discontinued
0.7391 Intermediate Similarity NPD7492 Approved
0.7347 Intermediate Similarity NPD5785 Approved
0.7345 Intermediate Similarity NPD6054 Approved
0.7345 Intermediate Similarity NPD6059 Approved
0.734 Intermediate Similarity NPD5362 Discontinued
0.7339 Intermediate Similarity NPD6053 Discontinued
0.7328 Intermediate Similarity NPD6616 Approved
0.7328 Intermediate Similarity NPD6336 Discontinued
0.732 Intermediate Similarity NPD5208 Approved
0.7312 Intermediate Similarity NPD5369 Approved
0.7292 Intermediate Similarity NPD5786 Approved
0.7281 Intermediate Similarity NPD6016 Approved
0.7281 Intermediate Similarity NPD6015 Approved
0.7265 Intermediate Similarity NPD7078 Approved
0.7265 Intermediate Similarity NPD8293 Discontinued
0.7245 Intermediate Similarity NPD6101 Approved
0.7245 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD5654 Approved
0.7228 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD6370 Approved
0.7217 Intermediate Similarity NPD5988 Approved
0.7207 Intermediate Similarity NPD5167 Approved
0.7203 Intermediate Similarity NPD7736 Approved
0.7196 Intermediate Similarity NPD6412 Phase 2
0.7188 Intermediate Similarity NPD5363 Approved
0.7184 Intermediate Similarity NPD7638 Approved
0.7174 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD5207 Approved
0.713 Intermediate Similarity NPD5168 Approved
0.7129 Intermediate Similarity NPD7900 Approved
0.7129 Intermediate Similarity NPD5282 Discontinued
0.7129 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7640 Approved
0.7115 Intermediate Similarity NPD7639 Approved
0.7113 Intermediate Similarity NPD4689 Approved
0.7113 Intermediate Similarity NPD4693 Phase 3
0.7113 Intermediate Similarity NPD4690 Approved
0.7113 Intermediate Similarity NPD4138 Approved
0.7113 Intermediate Similarity NPD5205 Approved
0.7113 Intermediate Similarity NPD4688 Approved
0.7087 Intermediate Similarity NPD5959 Approved
0.7083 Intermediate Similarity NPD3668 Phase 3
0.7071 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD4269 Approved
0.7053 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD4270 Approved
0.7041 Intermediate Similarity NPD3573 Approved
0.703 Intermediate Similarity NPD5778 Approved
0.703 Intermediate Similarity NPD5779 Approved
0.7021 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.6989 Remote Similarity NPD3617 Approved
0.697 Remote Similarity NPD4518 Approved
0.6961 Remote Similarity NPD6001 Approved
0.6957 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6931 Remote Similarity NPD8035 Phase 2
0.6931 Remote Similarity NPD8034 Phase 2
0.693 Remote Similarity NPD7115 Discovery
0.6917 Remote Similarity NPD6033 Approved
0.6863 Remote Similarity NPD5133 Approved
0.6857 Remote Similarity NPD4225 Approved
0.6847 Remote Similarity NPD6371 Approved
0.6842 Remote Similarity NPD4252 Approved
0.6842 Remote Similarity NPD4821 Approved
0.6842 Remote Similarity NPD4822 Approved

Structure

External Identifiers

PubChem CID   10829532
ChEMBL   CHEMBL462737
ZINC  

Physicochemical Properties

Molecular Weight:  320.20
ALogP:  1.7073
MLogP:  3.11
XLogP:  2.514
# Rotatable Bonds:  10
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  23

Download Data

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