Natural Product: NPC152061

Natural Product ID:  NPC152061
Common Name:   Nardosinanol C
IUPAC Name:   (2R)-2-[(1R,6S,8S,8aS)-6-hydroxy-8,8a-dimethyl-2-oxo-1,3,4,6,7,8-hexahydronaphthalen-1-yl]propanal
Synonyms:   Nardosinanol C
Molecular Formula:   C15H22O3
Standard InCHIKey:  XUQUDWQZWFJEDL-YLHIVMMESA-N
Standard InCHI:  InChI=1S/C15H22O3/c1-9(8-16)14-13(18)5-4-11-7-12(17)6-10(2)15(11,14)3/h7-10,12,14,17H,4-6H2,1-3H3/t9-,10-,12-,14-,15+/m0/s1
Canonical SMILES:  O=C[C@@H]([C@H]1C(=O)CCC2=C[C@H](C[C@@H]([C@@]12C)C)O)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
NPO33496 lemnalia sp. Species Nephtheidae Eukaryota PMID[18247571]
NPO2677 Paralemnalia clavata Species Nephtheidae Eukaryota PMID[18247571]
NPO14420 Lemnalia africana Species Nephtheidae Eukaryota PMID[18247571]
NPO28973.1 Rhytisma fulvum Under-species NA NA PMID[18247571]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LC50 = 4000 nM Open TG-GATES in vivo data: Hematology

  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 NPC152061 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
0.9459 High Similarity NPC74995
0.9211 High Similarity NPC308038
0.9091 High Similarity NPC148685
0.9091 High Similarity NPC157895
0.9091 High Similarity NPC104120
0.9067 High Similarity NPC263582
0.8987 High Similarity NPC105173
0.8861 High Similarity NPC93590
0.8846 High Similarity NPC471514
0.8831 High Similarity NPC62336
0.8659 High Similarity NPC198761
0.8608 High Similarity NPC172013
0.859 High Similarity NPC475994
0.859 High Similarity NPC297996
0.8571 High Similarity NPC472983
0.8537 High Similarity NPC471224
0.8537 High Similarity NPC274724
0.8537 High Similarity NPC474083
0.8481 Intermediate Similarity NPC281138
0.8462 Intermediate Similarity NPC197659
0.8442 Intermediate Similarity NPC114236
0.8434 Intermediate Similarity NPC472985
0.8434 Intermediate Similarity NPC472986
0.8434 Intermediate Similarity NPC194417
0.8434 Intermediate Similarity NPC472974
0.8434 Intermediate Similarity NPC470955
0.8421 Intermediate Similarity NPC186042
0.8415 Intermediate Similarity NPC476412
0.8415 Intermediate Similarity NPC470812
0.8375 Intermediate Similarity NPC306095
0.8375 Intermediate Similarity NPC472301
0.8354 Intermediate Similarity NPC239098
0.8333 Intermediate Similarity NPC470525
0.8313 Intermediate Similarity NPC70685
0.8313 Intermediate Similarity NPC476426
0.8313 Intermediate Similarity NPC52628
0.8272 Intermediate Similarity NPC14151
0.825 Intermediate Similarity NPC19900
0.825 Intermediate Similarity NPC7232
0.8228 Intermediate Similarity NPC97377
0.8228 Intermediate Similarity NPC266193
0.8228 Intermediate Similarity NPC257666
0.8228 Intermediate Similarity NPC325946
0.8228 Intermediate Similarity NPC203403
0.8214 Intermediate Similarity NPC469994
0.8214 Intermediate Similarity NPC322159
0.8214 Intermediate Similarity NPC473226
0.8214 Intermediate Similarity NPC82979
0.8193 Intermediate Similarity NPC227132
0.8193 Intermediate Similarity NPC165064
0.8182 Intermediate Similarity NPC247586
0.8171 Intermediate Similarity NPC151519
0.8171 Intermediate Similarity NPC212083
0.8171 Intermediate Similarity NPC48362
0.8171 Intermediate Similarity NPC38796
0.8171 Intermediate Similarity NPC158411
0.8161 Intermediate Similarity NPC172101
0.8158 Intermediate Similarity NPC34834
0.8148 Intermediate Similarity NPC271104
0.8148 Intermediate Similarity NPC2482
0.8148 Intermediate Similarity NPC45495
0.814 Intermediate Similarity NPC281524
0.814 Intermediate Similarity NPC2983
0.814 Intermediate Similarity NPC123912
0.814 Intermediate Similarity NPC473999
0.814 Intermediate Similarity NPC309603
0.814 Intermediate Similarity NPC472973
0.814 Intermediate Similarity NPC472970
0.814 Intermediate Similarity NPC472971
0.8125 Intermediate Similarity NPC275494
0.8125 Intermediate Similarity NPC471409
0.8101 Intermediate Similarity NPC472305
0.8095 Intermediate Similarity NPC474853
0.8095 Intermediate Similarity NPC179006
0.8077 Intermediate Similarity NPC215050
0.8072 Intermediate Similarity NPC169941
0.8072 Intermediate Similarity NPC251475
0.8072 Intermediate Similarity NPC307258
0.8072 Intermediate Similarity NPC64600
0.8049 Intermediate Similarity NPC6663
0.8049 Intermediate Similarity NPC90055
0.8049 Intermediate Similarity NPC473420
0.8049 Intermediate Similarity NPC3915
0.8049 Intermediate Similarity NPC121984
0.8046 Intermediate Similarity NPC134321
0.8046 Intermediate Similarity NPC69622
0.8046 Intermediate Similarity NPC48010
0.8026 Intermediate Similarity NPC474248
0.8025 Intermediate Similarity NPC474113
0.8 Intermediate Similarity NPC34110
0.8 Intermediate Similarity NPC94755
0.8 Intermediate Similarity NPC477579
0.8 Intermediate Similarity NPC235341
0.8 Intermediate Similarity NPC95594
0.7978 Intermediate Similarity NPC292793
0.7976 Intermediate Similarity NPC221758
0.7976 Intermediate Similarity NPC180834
0.7976 Intermediate Similarity NPC85774
0.7976 Intermediate Similarity NPC161423
0.7976 Intermediate Similarity NPC329043
0.7976 Intermediate Similarity NPC227064
0.7976 Intermediate Similarity NPC58841
0.7976 Intermediate Similarity NPC473246
0.7976 Intermediate Similarity NPC321187
0.7976 Intermediate Similarity NPC214043
0.7976 Intermediate Similarity NPC40687
0.7976 Intermediate Similarity NPC59453
0.7976 Intermediate Similarity NPC82902
0.7975 Intermediate Similarity NPC476795
0.7955 Intermediate Similarity NPC475806
0.7955 Intermediate Similarity NPC116726
0.7955 Intermediate Similarity NPC472978
0.7955 Intermediate Similarity NPC473998
0.7952 Intermediate Similarity NPC310989
0.7952 Intermediate Similarity NPC103486
0.7931 Intermediate Similarity NPC473100
0.7931 Intermediate Similarity NPC184663
0.7927 Intermediate Similarity NPC472478
0.7907 Intermediate Similarity NPC317590
0.7907 Intermediate Similarity NPC287079
0.7901 Intermediate Similarity NPC80088
0.7901 Intermediate Similarity NPC247783
0.7901 Intermediate Similarity NPC179028
0.7901 Intermediate Similarity NPC253561
0.7901 Intermediate Similarity NPC59436
0.7901 Intermediate Similarity NPC269543
0.7901 Intermediate Similarity NPC178852
0.7895 Intermediate Similarity NPC96484
0.7882 Intermediate Similarity NPC470574
0.7882 Intermediate Similarity NPC474218
0.7882 Intermediate Similarity NPC133954
0.7875 Intermediate Similarity NPC151622
0.7875 Intermediate Similarity NPC7629
0.7875 Intermediate Similarity NPC250621
0.7867 Intermediate Similarity NPC202017
0.7865 Intermediate Similarity NPC472942
0.7865 Intermediate Similarity NPC472930
0.7865 Intermediate Similarity NPC474736
0.7865 Intermediate Similarity NPC109305
0.7865 Intermediate Similarity NPC69454
0.7857 Intermediate Similarity NPC476082
0.7857 Intermediate Similarity NPC278648
0.7857 Intermediate Similarity NPC470165
0.7857 Intermediate Similarity NPC215893
0.7857 Intermediate Similarity NPC470948
0.7857 Intermediate Similarity NPC474748
0.7857 Intermediate Similarity NPC297398
0.7848 Intermediate Similarity NPC102313
0.7848 Intermediate Similarity NPC199316
0.7848 Intermediate Similarity NPC470299
0.7841 Intermediate Similarity NPC128672
0.7841 Intermediate Similarity NPC232202
0.7841 Intermediate Similarity NPC230332
0.7841 Intermediate Similarity NPC473099
0.7841 Intermediate Similarity NPC191684
0.7841 Intermediate Similarity NPC320026
0.7831 Intermediate Similarity NPC226068
0.7831 Intermediate Similarity NPC136150
0.7831 Intermediate Similarity NPC116797
0.7831 Intermediate Similarity NPC470298
0.7816 Intermediate Similarity NPC473229
0.7816 Intermediate Similarity NPC206060
0.7816 Intermediate Similarity NPC474854
0.7816 Intermediate Similarity NPC104560
0.7805 Intermediate Similarity NPC472490
0.7792 Intermediate Similarity NPC471560
0.7791 Intermediate Similarity NPC145879
0.7791 Intermediate Similarity NPC20688
0.7791 Intermediate Similarity NPC213412
0.7791 Intermediate Similarity NPC51014
0.7791 Intermediate Similarity NPC202394
0.7791 Intermediate Similarity NPC475862
0.7791 Intermediate Similarity NPC474732
0.7791 Intermediate Similarity NPC474733
0.7791 Intermediate Similarity NPC473168
0.7791 Intermediate Similarity NPC74363
0.7791 Intermediate Similarity NPC31564
0.7791 Intermediate Similarity NPC474778
0.7791 Intermediate Similarity NPC327115
0.7791 Intermediate Similarity NPC94666
0.7778 Intermediate Similarity NPC472976
0.7778 Intermediate Similarity NPC470428
0.7778 Intermediate Similarity NPC165711
0.7778 Intermediate Similarity NPC472977
0.7778 Intermediate Similarity NPC8993
0.7778 Intermediate Similarity NPC196227
0.7778 Intermediate Similarity NPC61952
0.7765 Intermediate Similarity NPC473157
0.7765 Intermediate Similarity NPC237712
0.7763 Intermediate Similarity NPC68703
0.7763 Intermediate Similarity NPC171225
0.7763 Intermediate Similarity NPC69649
0.7753 Intermediate Similarity NPC472975
0.7753 Intermediate Similarity NPC63748
0.7753 Intermediate Similarity NPC233116
0.7738 Intermediate Similarity NPC73882
0.7738 Intermediate Similarity NPC470813
0.7727 Intermediate Similarity NPC5509
0.7727 Intermediate Similarity NPC214387
0.7722 Intermediate Similarity NPC275098

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC152061 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
0.8171 Intermediate Similarity NPD3667 Approved
0.7976 Intermediate Similarity NPD3666 Approved
0.7976 Intermediate Similarity NPD4786 Approved
0.7976 Intermediate Similarity NPD3133 Approved
0.7976 Intermediate Similarity NPD3665 Phase 1
0.7791 Intermediate Similarity NPD3618 Phase 1
0.7791 Intermediate Similarity NPD5279 Phase 3
0.7609 Intermediate Similarity NPD4697 Phase 3
0.7586 Intermediate Similarity NPD4623 Approved
0.7586 Intermediate Similarity NPD4519 Discontinued
0.7528 Intermediate Similarity NPD5328 Approved
0.75 Intermediate Similarity NPD4695 Discontinued
0.7363 Intermediate Similarity NPD6079 Approved
0.7363 Intermediate Similarity NPD7515 Phase 2
0.7356 Intermediate Similarity NPD3668 Phase 3
0.7333 Intermediate Similarity NPD4753 Phase 2
0.7326 Intermediate Similarity NPD4223 Phase 3
0.7326 Intermediate Similarity NPD4221 Approved
0.7283 Intermediate Similarity NPD4202 Approved
0.7283 Intermediate Similarity NPD6399 Phase 3
0.7262 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD4197 Approved
0.7108 Intermediate Similarity NPD8264 Approved
0.7079 Intermediate Similarity NPD5329 Approved
0.7059 Intermediate Similarity NPD3617 Approved
0.7053 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5222 Approved
0.7053 Intermediate Similarity NPD5221 Approved
0.7041 Intermediate Similarity NPD5211 Phase 2
0.7024 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7748 Approved
0.7 Intermediate Similarity NPD4138 Approved
0.7 Intermediate Similarity NPD5205 Approved
0.7 Intermediate Similarity NPD4688 Approved
0.7 Intermediate Similarity NPD5690 Phase 2
0.7 Intermediate Similarity NPD7521 Approved
0.7 Intermediate Similarity NPD5280 Approved
0.7 Intermediate Similarity NPD4694 Approved
0.7 Intermediate Similarity NPD4693 Phase 3
0.7 Intermediate Similarity NPD7146 Approved
0.7 Intermediate Similarity NPD6684 Approved
0.7 Intermediate Similarity NPD4690 Approved
0.7 Intermediate Similarity NPD5330 Approved
0.7 Intermediate Similarity NPD4689 Approved
0.7 Intermediate Similarity NPD6409 Approved
0.7 Intermediate Similarity NPD7334 Approved
0.6979 Remote Similarity NPD4755 Approved
0.6979 Remote Similarity NPD7902 Approved
0.6979 Remote Similarity NPD5173 Approved
0.6947 Remote Similarity NPD5210 Approved
0.6947 Remote Similarity NPD4629 Approved
0.6932 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6915 Remote Similarity NPD5778 Approved
0.6915 Remote Similarity NPD5779 Approved
0.6905 Remote Similarity NPD7339 Approved
0.6905 Remote Similarity NPD6942 Approved
0.69 Remote Similarity NPD5141 Approved
0.6889 Remote Similarity NPD1694 Approved
0.6889 Remote Similarity NPD1696 Phase 3
0.6883 Remote Similarity NPD368 Approved
0.6854 Remote Similarity NPD4788 Approved
0.6848 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6903 Approved
0.6837 Remote Similarity NPD4696 Approved
0.6837 Remote Similarity NPD5286 Approved
0.6837 Remote Similarity NPD4700 Approved
0.6837 Remote Similarity NPD5285 Approved
0.6818 Remote Similarity NPD4139 Approved
0.6818 Remote Similarity NPD4692 Approved
0.6813 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6411 Approved
0.6804 Remote Similarity NPD6084 Phase 2
0.6804 Remote Similarity NPD6083 Phase 2
0.6786 Remote Similarity NPD6926 Approved
0.6786 Remote Similarity NPD6924 Approved
0.6782 Remote Similarity NPD7645 Phase 2
0.6782 Remote Similarity NPD6929 Approved
0.6771 Remote Similarity NPD5695 Phase 3
0.6768 Remote Similarity NPD5223 Approved
0.6757 Remote Similarity NPD342 Phase 1
0.675 Remote Similarity NPD7331 Phase 2
0.6742 Remote Similarity NPD4270 Approved
0.6742 Remote Similarity NPD4269 Approved
0.6739 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6707 Remote Similarity NPD4137 Phase 3
0.6705 Remote Similarity NPD6930 Phase 2
0.6705 Remote Similarity NPD6931 Approved
0.6705 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6703 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6702 Remote Similarity NPD4096 Approved
0.67 Remote Similarity NPD5225 Approved
0.67 Remote Similarity NPD5226 Approved
0.67 Remote Similarity NPD5224 Approved
0.67 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5362 Discontinued
0.6667 Remote Similarity NPD6672 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6634 Remote Similarity NPD5174 Approved
0.6634 Remote Similarity NPD5175 Approved
0.6634 Remote Similarity NPD4754 Approved
0.6632 Remote Similarity NPD5284 Approved
0.6632 Remote Similarity NPD5281 Approved
0.663 Remote Similarity NPD5786 Approved
0.6628 Remote Similarity NPD6933 Approved
0.6627 Remote Similarity NPD4691 Approved
0.6627 Remote Similarity NPD4747 Approved
0.6625 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6625 Remote Similarity NPD7341 Phase 2
0.6596 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6596 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6101 Approved
0.6591 Remote Similarity NPD4195 Approved
0.6585 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6566 Remote Similarity NPD7638 Approved
0.6566 Remote Similarity NPD4225 Approved
0.6566 Remote Similarity NPD5696 Approved
0.6552 Remote Similarity NPD6925 Approved
0.6552 Remote Similarity NPD5776 Phase 2
0.6548 Remote Similarity NPD5276 Approved
0.6526 Remote Similarity NPD5785 Approved
0.6522 Remote Similarity NPD5363 Approved
0.6517 Remote Similarity NPD7332 Phase 2
0.6517 Remote Similarity NPD4252 Approved
0.6517 Remote Similarity NPD7514 Phase 3
0.6517 Remote Similarity NPD7525 Registered
0.6512 Remote Similarity NPD8039 Approved
0.6506 Remote Similarity NPD3698 Phase 2
0.6506 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6506 Remote Similarity NPD6922 Approved
0.6506 Remote Similarity NPD6923 Approved
0.6506 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6505 Remote Similarity NPD6402 Approved
0.6505 Remote Similarity NPD5739 Approved
0.6505 Remote Similarity NPD4768 Approved
0.6505 Remote Similarity NPD7128 Approved
0.6505 Remote Similarity NPD4767 Approved
0.6505 Remote Similarity NPD6675 Approved
0.6489 Remote Similarity NPD4518 Approved
0.6484 Remote Similarity NPD6695 Phase 3
0.6484 Remote Similarity NPD7154 Phase 3
0.6477 Remote Similarity NPD7145 Approved
0.6476 Remote Similarity NPD6372 Approved
0.6476 Remote Similarity NPD6373 Approved
0.6458 Remote Similarity NPD7637 Suspended
0.6452 Remote Similarity NPD6098 Approved
0.6444 Remote Similarity NPD6902 Approved
0.6442 Remote Similarity NPD6412 Phase 2
0.6442 Remote Similarity NPD5697 Approved
0.6442 Remote Similarity NPD5701 Approved
0.6429 Remote Similarity NPD4244 Approved
0.6429 Remote Similarity NPD7143 Approved
0.6429 Remote Similarity NPD4245 Approved
0.6429 Remote Similarity NPD7144 Approved
0.6413 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4687 Approved
0.6395 Remote Similarity NPD4058 Approved
0.6395 Remote Similarity NPD5733 Approved
0.6392 Remote Similarity NPD5133 Approved
0.6383 Remote Similarity NPD3573 Approved
0.6381 Remote Similarity NPD6881 Approved
0.6381 Remote Similarity NPD6686 Approved
0.6381 Remote Similarity NPD5168 Approved
0.6381 Remote Similarity NPD4729 Approved
0.6381 Remote Similarity NPD6899 Approved
0.6381 Remote Similarity NPD6011 Approved
0.6381 Remote Similarity NPD5128 Approved
0.6381 Remote Similarity NPD7320 Approved
0.6381 Remote Similarity NPD4730 Approved
0.6364 Remote Similarity NPD7115 Discovery
0.6355 Remote Similarity NPD6650 Approved
0.6355 Remote Similarity NPD6649 Approved
0.6353 Remote Similarity NPD7150 Approved
0.6353 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6353 Remote Similarity NPD7152 Approved
0.6353 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6353 Remote Similarity NPD4243 Approved
0.6353 Remote Similarity NPD7151 Approved
0.6344 Remote Similarity NPD6893 Approved
0.6337 Remote Similarity NPD6404 Discontinued
0.6333 Remote Similarity NPD5368 Approved
0.6333 Remote Similarity NPD7509 Discontinued
0.6333 Remote Similarity NPD4822 Approved
0.6333 Remote Similarity NPD4820 Approved
0.6333 Remote Similarity NPD4821 Approved
0.6333 Remote Similarity NPD4819 Approved
0.6321 Remote Similarity NPD6014 Approved
0.6321 Remote Similarity NPD6013 Approved
0.6321 Remote Similarity NPD6012 Approved
0.6316 Remote Similarity NPD5208 Approved
0.6304 Remote Similarity NPD5331 Approved
0.6304 Remote Similarity NPD5332 Approved
0.6292 Remote Similarity NPD4271 Approved
0.6292 Remote Similarity NPD4268 Approved
0.6289 Remote Similarity NPD8035 Phase 2
0.6289 Remote Similarity NPD8034 Phase 2

Structure

External Identifiers

PubChem CID   44448174
ChEMBL   CHEMBL403899
ZINC  

Physicochemical Properties

Molecular Weight:  250.16
ALogP:  0.2138
MLogP:  2.78
XLogP:  0.881
# Rotatable Bonds:  6
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  18

Download Data

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