Natural Product: NPC70479

Natural Product ID:  NPC70479
Common Name:   Nardosinone
IUPAC Name:   (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
Synonyms:   Nardosinone
Molecular Formula:   C15H22O3
Standard InCHIKey:  KXGHHSIMRWPVQM-JWFUOXDNSA-N
Standard InCHI:  InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1
Canonical SMILES:  O=C1C[C@H]2OOC([C@H]2[C@@]2(C1=CCC[C@H]2C)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
NPO14809 Talaromyces avellaneus Species Trichocomaceae Eukaryota UNPD*
NPO6444 Humulus scandens Species Cannabaceae Eukaryota UNPD*
NPO2741 Ribes sanguineum Species Grossulariaceae Eukaryota UNPD*
NPO1821 Kopsia albiflora Species Apocynaceae Eukaryota UNPD*
NPO5497 Stachys chinensis Species Lamiaceae Eukaryota UNPD*
NPO14108 Nardostachys jatamansi Species Caprifoliaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 11100 nM 22079762

  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 NPC70479 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
0.9048 High Similarity NPC230332
0.8434 Intermediate Similarity NPC64600
0.8193 Intermediate Similarity NPC475665
0.8095 Intermediate Similarity NPC470813
0.7978 Intermediate Similarity NPC128672
0.7978 Intermediate Similarity NPC152467
0.7927 Intermediate Similarity NPC197659
0.7907 Intermediate Similarity NPC470812
0.7889 Intermediate Similarity NPC472978
0.7865 Intermediate Similarity NPC472973
0.7857 Intermediate Similarity NPC157895
0.7857 Intermediate Similarity NPC148685
0.7857 Intermediate Similarity NPC104120
0.7841 Intermediate Similarity NPC38885
0.7831 Intermediate Similarity NPC62336
0.7831 Intermediate Similarity NPC207772
0.7826 Intermediate Similarity NPC316215
0.7816 Intermediate Similarity NPC300985
0.7778 Intermediate Similarity NPC134321
0.7765 Intermediate Similarity NPC119229
0.7753 Intermediate Similarity NPC328539
0.7753 Intermediate Similarity NPC158778
0.7753 Intermediate Similarity NPC215831
0.7738 Intermediate Similarity NPC308038
0.7738 Intermediate Similarity NPC476177
0.7727 Intermediate Similarity NPC194417
0.7727 Intermediate Similarity NPC470345
0.7701 Intermediate Similarity NPC475193
0.7701 Intermediate Similarity NPC40687
0.7701 Intermediate Similarity NPC120158
0.7692 Intermediate Similarity NPC252433
0.7692 Intermediate Similarity NPC472975
0.7667 Intermediate Similarity NPC73995
0.7667 Intermediate Similarity NPC275740
0.7667 Intermediate Similarity NPC86319
0.7647 Intermediate Similarity NPC172013
0.7647 Intermediate Similarity NPC45495
0.764 Intermediate Similarity NPC298904
0.7634 Intermediate Similarity NPC473170
0.7619 Intermediate Similarity NPC253561
0.7619 Intermediate Similarity NPC80088
0.7619 Intermediate Similarity NPC178852
0.7614 Intermediate Similarity NPC79573
0.7614 Intermediate Similarity NPC470574
0.7614 Intermediate Similarity NPC110405
0.7614 Intermediate Similarity NPC177932
0.7609 Intermediate Similarity NPC131840
0.7609 Intermediate Similarity NPC79117
0.759 Intermediate Similarity NPC186554
0.759 Intermediate Similarity NPC76966
0.759 Intermediate Similarity NPC470525
0.759 Intermediate Similarity NPC250621
0.759 Intermediate Similarity NPC263582
0.7558 Intermediate Similarity NPC116797
0.7558 Intermediate Similarity NPC226068
0.7558 Intermediate Similarity NPC476988
0.7556 Intermediate Similarity NPC471791
0.7556 Intermediate Similarity NPC53911
0.7556 Intermediate Similarity NPC131470
0.7556 Intermediate Similarity NPC143767
0.7556 Intermediate Similarity NPC471793
0.7556 Intermediate Similarity NPC471724
0.7529 Intermediate Similarity NPC268502
0.7529 Intermediate Similarity NPC7232
0.7529 Intermediate Similarity NPC254996
0.7528 Intermediate Similarity NPC475181
0.7528 Intermediate Similarity NPC179591
0.7528 Intermediate Similarity NPC472974
0.7528 Intermediate Similarity NPC476043
0.7527 Intermediate Similarity NPC470697
0.7527 Intermediate Similarity NPC472977
0.7527 Intermediate Similarity NPC472976
0.7527 Intermediate Similarity NPC103527
0.7527 Intermediate Similarity NPC471207
0.75 Intermediate Similarity NPC475392
0.75 Intermediate Similarity NPC476412
0.75 Intermediate Similarity NPC475202
0.75 Intermediate Similarity NPC168027
0.75 Intermediate Similarity NPC257666
0.75 Intermediate Similarity NPC172101
0.75 Intermediate Similarity NPC185936
0.75 Intermediate Similarity NPC266193
0.75 Intermediate Similarity NPC475385
0.75 Intermediate Similarity NPC144956
0.75 Intermediate Similarity NPC251170
0.7474 Intermediate Similarity NPC84335
0.7474 Intermediate Similarity NPC18509
0.7474 Intermediate Similarity NPC292133
0.7474 Intermediate Similarity NPC27105
0.7474 Intermediate Similarity NPC38530
0.7474 Intermediate Similarity NPC273269
0.7473 Intermediate Similarity NPC119416
0.7473 Intermediate Similarity NPC69627
0.7471 Intermediate Similarity NPC93590
0.747 Intermediate Similarity NPC114236
0.7447 Intermediate Similarity NPC259286
0.7444 Intermediate Similarity NPC30421
0.7444 Intermediate Similarity NPC472324
0.7442 Intermediate Similarity NPC469637
0.7442 Intermediate Similarity NPC476809
0.7442 Intermediate Similarity NPC472301
0.7439 Intermediate Similarity NPC247586
0.7423 Intermediate Similarity NPC470184
0.7419 Intermediate Similarity NPC474807
0.7419 Intermediate Similarity NPC69454
0.7419 Intermediate Similarity NPC472930
0.7416 Intermediate Similarity NPC476678
0.7416 Intermediate Similarity NPC70685
0.7416 Intermediate Similarity NPC478245
0.7412 Intermediate Similarity NPC478247
0.7412 Intermediate Similarity NPC478246
0.7412 Intermediate Similarity NPC35574
0.7396 Intermediate Similarity NPC99657
0.7396 Intermediate Similarity NPC471331
0.7396 Intermediate Similarity NPC203388
0.7396 Intermediate Similarity NPC472687
0.7396 Intermediate Similarity NPC471330
0.7391 Intermediate Similarity NPC8062
0.7391 Intermediate Similarity NPC328141
0.7391 Intermediate Similarity NPC223093
0.7391 Intermediate Similarity NPC191684
0.7391 Intermediate Similarity NPC85173
0.7391 Intermediate Similarity NPC183283
0.7386 Intermediate Similarity NPC251475
0.7386 Intermediate Similarity NPC169941
0.7386 Intermediate Similarity NPC105173
0.7375 Intermediate Similarity NPC155198
0.7374 Intermediate Similarity NPC474281
0.7368 Intermediate Similarity NPC472733
0.7368 Intermediate Similarity NPC472734
0.7368 Intermediate Similarity NPC249954
0.7368 Intermediate Similarity NPC106425
0.7368 Intermediate Similarity NPC151725
0.7368 Intermediate Similarity NPC122324
0.7363 Intermediate Similarity NPC471722
0.7363 Intermediate Similarity NPC474677
0.7363 Intermediate Similarity NPC474925
0.7363 Intermediate Similarity NPC310752
0.7363 Intermediate Similarity NPC292491
0.7363 Intermediate Similarity NPC80335
0.7363 Intermediate Similarity NPC474854
0.7356 Intermediate Similarity NPC44963
0.7356 Intermediate Similarity NPC472684
0.7356 Intermediate Similarity NPC282293
0.7356 Intermediate Similarity NPC14151
0.7356 Intermediate Similarity NPC149237
0.7356 Intermediate Similarity NPC473217
0.7349 Intermediate Similarity NPC470299
0.734 Intermediate Similarity NPC196227
0.734 Intermediate Similarity NPC471078
0.734 Intermediate Similarity NPC473431
0.734 Intermediate Similarity NPC473172
0.734 Intermediate Similarity NPC473280
0.734 Intermediate Similarity NPC473435
0.7333 Intermediate Similarity NPC72133
0.7333 Intermediate Similarity NPC327115
0.7333 Intermediate Similarity NPC198761
0.7333 Intermediate Similarity NPC262085
0.7333 Intermediate Similarity NPC472986
0.7333 Intermediate Similarity NPC472985
0.7326 Intermediate Similarity NPC150646
0.7326 Intermediate Similarity NPC281138
0.7326 Intermediate Similarity NPC229204
0.732 Intermediate Similarity NPC112167
0.7312 Intermediate Similarity NPC131872
0.7312 Intermediate Similarity NPC218301
0.7312 Intermediate Similarity NPC99380
0.7312 Intermediate Similarity NPC63748
0.7312 Intermediate Similarity NPC116726
0.7312 Intermediate Similarity NPC272746
0.7303 Intermediate Similarity NPC58841
0.7303 Intermediate Similarity NPC30486
0.7303 Intermediate Similarity NPC214043
0.7303 Intermediate Similarity NPC227064
0.7303 Intermediate Similarity NPC473246
0.7303 Intermediate Similarity NPC321187
0.7303 Intermediate Similarity NPC329043
0.7303 Intermediate Similarity NPC161423
0.7303 Intermediate Similarity NPC85774
0.7294 Intermediate Similarity NPC472300
0.7294 Intermediate Similarity NPC74995
0.7294 Intermediate Similarity NPC34110
0.7294 Intermediate Similarity NPC97377
0.7292 Intermediate Similarity NPC472731
0.7292 Intermediate Similarity NPC472732
0.7292 Intermediate Similarity NPC2049
0.7292 Intermediate Similarity NPC226986
0.7283 Intermediate Similarity NPC471222
0.7283 Intermediate Similarity NPC472475
0.7283 Intermediate Similarity NPC31985
0.7283 Intermediate Similarity NPC472970
0.7283 Intermediate Similarity NPC1015
0.7283 Intermediate Similarity NPC472477
0.7283 Intermediate Similarity NPC472983
0.7283 Intermediate Similarity NPC471342
0.7283 Intermediate Similarity NPC472971
0.7283 Intermediate Similarity NPC123912
0.7283 Intermediate Similarity NPC472489
0.7283 Intermediate Similarity NPC469866
0.7273 Intermediate Similarity NPC36321

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC70479 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
0.7727 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6079 Approved
0.7667 Intermediate Similarity NPD5328 Approved
0.7614 Intermediate Similarity NPD1694 Approved
0.7528 Intermediate Similarity NPD3618 Phase 1
0.75 Intermediate Similarity NPD5285 Approved
0.75 Intermediate Similarity NPD5286 Approved
0.75 Intermediate Similarity NPD4696 Approved
0.7474 Intermediate Similarity NPD4755 Approved
0.7444 Intermediate Similarity NPD3573 Approved
0.7368 Intermediate Similarity NPD5222 Approved
0.7368 Intermediate Similarity NPD5221 Approved
0.7368 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD5211 Phase 2
0.7347 Intermediate Similarity NPD5226 Approved
0.7347 Intermediate Similarity NPD5225 Approved
0.7347 Intermediate Similarity NPD4633 Approved
0.7347 Intermediate Similarity NPD5224 Approved
0.732 Intermediate Similarity NPD4700 Approved
0.7303 Intermediate Similarity NPD3133 Approved
0.7303 Intermediate Similarity NPD3666 Approved
0.7303 Intermediate Similarity NPD3665 Phase 1
0.7292 Intermediate Similarity NPD5173 Approved
0.7273 Intermediate Similarity NPD5175 Approved
0.7273 Intermediate Similarity NPD5174 Approved
0.7245 Intermediate Similarity NPD5223 Approved
0.7234 Intermediate Similarity NPD4202 Approved
0.72 Intermediate Similarity NPD5141 Approved
0.7188 Intermediate Similarity NPD4697 Phase 3
0.7184 Intermediate Similarity NPD4634 Approved
0.7143 Intermediate Similarity NPD7521 Approved
0.7143 Intermediate Similarity NPD7334 Approved
0.7143 Intermediate Similarity NPD5279 Phase 3
0.7143 Intermediate Similarity NPD7146 Approved
0.7143 Intermediate Similarity NPD6409 Approved
0.7143 Intermediate Similarity NPD6684 Approved
0.7143 Intermediate Similarity NPD5330 Approved
0.7097 Intermediate Similarity NPD4753 Phase 2
0.7079 Intermediate Similarity NPD4223 Phase 3
0.7079 Intermediate Similarity NPD4221 Approved
0.7079 Intermediate Similarity NPD3667 Approved
0.7059 Intermediate Similarity NPD5697 Approved
0.7045 Intermediate Similarity NPD4695 Discontinued
0.699 Remote Similarity NPD4729 Approved
0.699 Remote Similarity NPD6881 Approved
0.699 Remote Similarity NPD4730 Approved
0.699 Remote Similarity NPD5128 Approved
0.699 Remote Similarity NPD6899 Approved
0.6989 Remote Similarity NPD6903 Approved
0.6989 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6988 Remote Similarity NPD4691 Approved
0.6961 Remote Similarity NPD4767 Approved
0.6961 Remote Similarity NPD5739 Approved
0.6961 Remote Similarity NPD4768 Approved
0.6961 Remote Similarity NPD6008 Approved
0.6961 Remote Similarity NPD6402 Approved
0.6961 Remote Similarity NPD6675 Approved
0.6961 Remote Similarity NPD7128 Approved
0.6957 Remote Similarity NPD5690 Phase 2
0.6947 Remote Similarity NPD7515 Phase 2
0.6931 Remote Similarity NPD4754 Approved
0.6923 Remote Similarity NPD6014 Approved
0.6923 Remote Similarity NPD6012 Approved
0.6923 Remote Similarity NPD6013 Approved
0.6923 Remote Similarity NPD4786 Approved
0.6923 Remote Similarity NPD4197 Approved
0.6923 Remote Similarity NPD3668 Phase 3
0.6907 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6907 Remote Similarity NPD4629 Approved
0.6907 Remote Similarity NPD5210 Approved
0.6893 Remote Similarity NPD5701 Approved
0.6889 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6867 Remote Similarity NPD4137 Phase 3
0.6857 Remote Similarity NPD5249 Phase 3
0.6857 Remote Similarity NPD5251 Approved
0.6857 Remote Similarity NPD6883 Approved
0.6857 Remote Similarity NPD7290 Approved
0.6857 Remote Similarity NPD5250 Approved
0.6857 Remote Similarity NPD5247 Approved
0.6857 Remote Similarity NPD7102 Approved
0.6857 Remote Similarity NPD5248 Approved
0.6848 Remote Similarity NPD5329 Approved
0.6827 Remote Similarity NPD6011 Approved
0.6827 Remote Similarity NPD7320 Approved
0.6818 Remote Similarity NPD3617 Approved
0.6809 Remote Similarity NPD6672 Approved
0.6809 Remote Similarity NPD5737 Approved
0.6804 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6804 Remote Similarity NPD6001 Approved
0.6804 Remote Similarity NPD7900 Approved
0.6804 Remote Similarity NPD7748 Approved
0.6792 Remote Similarity NPD5216 Approved
0.6792 Remote Similarity NPD6847 Approved
0.6792 Remote Similarity NPD6650 Approved
0.6792 Remote Similarity NPD6869 Approved
0.6792 Remote Similarity NPD5215 Approved
0.6792 Remote Similarity NPD5217 Approved
0.6792 Remote Similarity NPD6649 Approved
0.6792 Remote Similarity NPD6617 Approved
0.6792 Remote Similarity NPD8130 Phase 1
0.679 Remote Similarity NPD7341 Phase 2
0.6786 Remote Similarity NPD4747 Approved
0.6774 Remote Similarity NPD4688 Approved
0.6774 Remote Similarity NPD5280 Approved
0.6774 Remote Similarity NPD4623 Approved
0.6774 Remote Similarity NPD4138 Approved
0.6774 Remote Similarity NPD4690 Approved
0.6774 Remote Similarity NPD4694 Approved
0.6774 Remote Similarity NPD5205 Approved
0.6774 Remote Similarity NPD4693 Phase 3
0.6774 Remote Similarity NPD4519 Discontinued
0.6774 Remote Similarity NPD4689 Approved
0.6771 Remote Similarity NPD6411 Approved
0.6762 Remote Similarity NPD6373 Approved
0.6762 Remote Similarity NPD6372 Approved
0.6757 Remote Similarity NPD6054 Approved
0.6744 Remote Similarity NPD4058 Approved
0.6735 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5695 Phase 3
0.6729 Remote Similarity NPD6882 Approved
0.6729 Remote Similarity NPD8297 Approved
0.6707 Remote Similarity NPD7331 Phase 2
0.6706 Remote Similarity NPD5276 Approved
0.67 Remote Similarity NPD4225 Approved
0.6698 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6698 Remote Similarity NPD5169 Approved
0.6698 Remote Similarity NPD5135 Approved
0.6696 Remote Similarity NPD6015 Approved
0.6696 Remote Similarity NPD6016 Approved
0.6667 Remote Similarity NPD1696 Phase 3
0.6667 Remote Similarity NPD5207 Approved
0.6667 Remote Similarity NPD5168 Approved
0.6637 Remote Similarity NPD6370 Approved
0.6637 Remote Similarity NPD5988 Approved
0.6636 Remote Similarity NPD5127 Approved
0.6633 Remote Similarity NPD5282 Discontinued
0.6632 Remote Similarity NPD5208 Approved
0.6607 Remote Similarity NPD6059 Approved
0.6607 Remote Similarity NPD6319 Approved
0.66 Remote Similarity NPD7902 Approved
0.66 Remote Similarity NPD6083 Phase 2
0.66 Remote Similarity NPD6084 Phase 2
0.6562 Remote Similarity NPD6101 Approved
0.6562 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6904 Approved
0.6562 Remote Similarity NPD6673 Approved
0.6562 Remote Similarity NPD6080 Approved
0.6556 Remote Similarity NPD4195 Approved
0.6552 Remote Similarity NPD5733 Approved
0.6552 Remote Similarity NPD4687 Approved
0.6545 Remote Similarity NPD6274 Approved
0.6535 Remote Similarity NPD5696 Approved
0.6522 Remote Similarity NPD7492 Approved
0.6514 Remote Similarity NPD4632 Approved
0.6495 Remote Similarity NPD5692 Phase 3
0.6495 Remote Similarity NPD4096 Approved
0.6486 Remote Similarity NPD7115 Discovery
0.6481 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6466 Remote Similarity NPD6616 Approved
0.6455 Remote Similarity NPD5167 Approved
0.6452 Remote Similarity NPD4788 Approved
0.6429 Remote Similarity NPD5284 Approved
0.6429 Remote Similarity NPD5693 Phase 1
0.6429 Remote Similarity NPD5694 Approved
0.6429 Remote Similarity NPD6050 Approved
0.6429 Remote Similarity NPD5281 Approved
0.6421 Remote Similarity NPD6098 Approved
0.6413 Remote Similarity NPD4139 Approved
0.6413 Remote Similarity NPD4692 Approved
0.641 Remote Similarity NPD7078 Approved
0.6372 Remote Similarity NPD7100 Approved
0.6372 Remote Similarity NPD7101 Approved
0.6364 Remote Similarity NPD6399 Phase 3
0.6364 Remote Similarity NPD5133 Approved
0.6364 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD5779 Approved
0.6356 Remote Similarity NPD7736 Approved
0.6353 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6339 Remote Similarity NPD6009 Approved
0.6339 Remote Similarity NPD6317 Approved
0.6337 Remote Similarity NPD7732 Phase 3
0.6289 Remote Similarity NPD4518 Approved
0.6283 Remote Similarity NPD6335 Approved
0.6283 Remote Similarity NPD6313 Approved
0.6283 Remote Similarity NPD6314 Approved
0.6271 Remote Similarity NPD8293 Discontinued
0.6261 Remote Similarity NPD6291 Clinical (unspecified phase)
0.625 Remote Similarity NPD287 Approved
0.625 Remote Similarity NPD6868 Approved
0.6238 Remote Similarity NPD5654 Approved
0.6224 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6196 Remote Similarity NPD7645 Phase 2
0.6176 Remote Similarity NPD7614 Phase 1
0.6146 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6146 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6129 Remote Similarity NPD7525 Registered
0.6121 Remote Similarity NPD5983 Phase 2
0.6121 Remote Similarity NPD6909 Approved
0.6121 Remote Similarity NPD6908 Approved

Structure

External Identifiers

PubChem CID   168136
ChEMBL   CHEMBL1933702
ZINC  

Physicochemical Properties

Molecular Weight:  250.16
ALogP:  2.3024
MLogP:  2.78
XLogP:  3.049
# Rotatable Bonds:  4
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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