Natural Product: NPC93590

Natural Product ID:  NPC93590
Common Name:   Debilon
IUPAC Name:   (1aR,3R,7R,7aR,7bS)-3-hydroxy-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one
Synonyms:   Debilon
Molecular Formula:   C15H22O2
Standard InCHIKey:  ALMYSFNKELLWOO-XANOUDBCSA-N
Standard InCHI:  InChI=1S/C15H22O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8,11-13,17H,5,7H2,1-4H3/t8-,11-,12-,13+,15+/m1/s1
Canonical SMILES:  O=C1C[C@@H](C)[C@]2(C(=C1)[C@H](O)C[C@@H]1[C@H]2C1(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
NPO1821 Kopsia albiflora Species Apocynaceae Eukaryota UNPD*
NPO5497 Stachys chinensis Species Lamiaceae Eukaryota UNPD*
NPO6444 Humulus scandens Species Cannabaceae Eukaryota UNPD*
NPO2741 Ribes sanguineum Species Grossulariaceae Eukaryota UNPD*
NPO14809 Talaromyces avellaneus Species Trichocomaceae 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 > 50000 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 NPC93590 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
0.9605 High Similarity NPC308038
0.9211 High Similarity NPC263582
0.9091 High Similarity NPC74995
0.9024 High Similarity NPC472985
0.9024 High Similarity NPC472986
0.8987 High Similarity NPC104120
0.8987 High Similarity NPC157895
0.8987 High Similarity NPC172013
0.8987 High Similarity NPC148685
0.8974 High Similarity NPC62336
0.8889 High Similarity NPC105173
0.8861 High Similarity NPC281138
0.8861 High Similarity NPC152061
0.8846 High Similarity NPC197659
0.8846 High Similarity NPC257666
0.8846 High Similarity NPC266193
0.8846 High Similarity NPC203403
0.8795 High Similarity NPC472974
0.875 High Similarity NPC471514
0.8734 High Similarity NPC475994
0.8718 High Similarity NPC472305
0.8706 High Similarity NPC473999
0.8706 High Similarity NPC472973
0.8706 High Similarity NPC309603
0.8706 High Similarity NPC472983
0.8659 High Similarity NPC251475
0.8659 High Similarity NPC64600
0.8659 High Similarity NPC169941
0.8605 High Similarity NPC134321
0.859 High Similarity NPC114236
0.8571 High Similarity NPC194417
0.8571 High Similarity NPC247586
0.8571 High Similarity NPC186042
0.8554 High Similarity NPC476412
0.8554 High Similarity NPC40687
0.8506 High Similarity NPC475806
0.8506 High Similarity NPC473998
0.8506 High Similarity NPC472978
0.8506 High Similarity NPC116726
0.85 High Similarity NPC178852
0.8488 Intermediate Similarity NPC473100
0.8481 Intermediate Similarity NPC470525
0.8452 Intermediate Similarity NPC476678
0.8452 Intermediate Similarity NPC470574
0.8452 Intermediate Similarity NPC476426
0.8434 Intermediate Similarity NPC297398
0.8409 Intermediate Similarity NPC109305
0.8409 Intermediate Similarity NPC69454
0.8395 Intermediate Similarity NPC19900
0.8391 Intermediate Similarity NPC473099
0.8391 Intermediate Similarity NPC128672
0.8391 Intermediate Similarity NPC48010
0.8375 Intermediate Similarity NPC34110
0.8375 Intermediate Similarity NPC97377
0.8372 Intermediate Similarity NPC104560
0.8353 Intermediate Similarity NPC198761
0.8353 Intermediate Similarity NPC473226
0.8353 Intermediate Similarity NPC179591
0.8333 Intermediate Similarity NPC472326
0.8315 Intermediate Similarity NPC472977
0.8315 Intermediate Similarity NPC196227
0.8315 Intermediate Similarity NPC8993
0.8315 Intermediate Similarity NPC472976
0.8313 Intermediate Similarity NPC48362
0.8313 Intermediate Similarity NPC158411
0.8313 Intermediate Similarity NPC38796
0.8295 Intermediate Similarity NPC63748
0.8295 Intermediate Similarity NPC472975
0.8295 Intermediate Similarity NPC233116
0.8293 Intermediate Similarity NPC2482
0.8293 Intermediate Similarity NPC271104
0.8293 Intermediate Similarity NPC45495
0.8293 Intermediate Similarity NPC472301
0.8276 Intermediate Similarity NPC472971
0.8276 Intermediate Similarity NPC472970
0.8272 Intermediate Similarity NPC275494
0.8272 Intermediate Similarity NPC471409
0.8272 Intermediate Similarity NPC297996
0.8256 Intermediate Similarity NPC471792
0.825 Intermediate Similarity NPC250621
0.825 Intermediate Similarity NPC151622
0.825 Intermediate Similarity NPC7629
0.8235 Intermediate Similarity NPC179006
0.8235 Intermediate Similarity NPC274724
0.8235 Intermediate Similarity NPC52628
0.8235 Intermediate Similarity NPC15807
0.8235 Intermediate Similarity NPC474853
0.8235 Intermediate Similarity NPC471224
0.8235 Intermediate Similarity NPC474083
0.8228 Intermediate Similarity NPC215050
0.8222 Intermediate Similarity NPC476245
0.8222 Intermediate Similarity NPC259286
0.8222 Intermediate Similarity NPC271195
0.8193 Intermediate Similarity NPC121984
0.8193 Intermediate Similarity NPC136150
0.8193 Intermediate Similarity NPC14151
0.8193 Intermediate Similarity NPC226068
0.8193 Intermediate Similarity NPC6663
0.8193 Intermediate Similarity NPC473420
0.8182 Intermediate Similarity NPC230332
0.8171 Intermediate Similarity NPC7232
0.8171 Intermediate Similarity NPC170394
0.8161 Intermediate Similarity NPC471722
0.8161 Intermediate Similarity NPC328539
0.8161 Intermediate Similarity NPC472802
0.8161 Intermediate Similarity NPC158778
0.814 Intermediate Similarity NPC145879
0.814 Intermediate Similarity NPC158393
0.814 Intermediate Similarity NPC82979
0.814 Intermediate Similarity NPC474732
0.814 Intermediate Similarity NPC474778
0.814 Intermediate Similarity NPC470955
0.814 Intermediate Similarity NPC72133
0.814 Intermediate Similarity NPC474733
0.814 Intermediate Similarity NPC31564
0.814 Intermediate Similarity NPC94666
0.8132 Intermediate Similarity NPC117133
0.8132 Intermediate Similarity NPC249954
0.8118 Intermediate Similarity NPC85774
0.8118 Intermediate Similarity NPC161423
0.8118 Intermediate Similarity NPC227064
0.8118 Intermediate Similarity NPC473246
0.8118 Intermediate Similarity NPC58841
0.8118 Intermediate Similarity NPC470812
0.8118 Intermediate Similarity NPC329043
0.8118 Intermediate Similarity NPC214043
0.8118 Intermediate Similarity NPC321187
0.8111 Intermediate Similarity NPC299100
0.8111 Intermediate Similarity NPC474690
0.8095 Intermediate Similarity NPC151519
0.8095 Intermediate Similarity NPC103486
0.8072 Intermediate Similarity NPC306095
0.8072 Intermediate Similarity NPC281880
0.8072 Intermediate Similarity NPC476809
0.8068 Intermediate Similarity NPC275740
0.8068 Intermediate Similarity NPC86319
0.8068 Intermediate Similarity NPC36668
0.8068 Intermediate Similarity NPC119416
0.8068 Intermediate Similarity NPC118011
0.8068 Intermediate Similarity NPC123912
0.8052 Intermediate Similarity NPC96484
0.8049 Intermediate Similarity NPC253561
0.8049 Intermediate Similarity NPC80088
0.8049 Intermediate Similarity NPC239098
0.8046 Intermediate Similarity NPC58063
0.8046 Intermediate Similarity NPC287079
0.8046 Intermediate Similarity NPC141292
0.8046 Intermediate Similarity NPC475740
0.8043 Intermediate Similarity NPC253826
0.8043 Intermediate Similarity NPC471916
0.8025 Intermediate Similarity NPC186554
0.8025 Intermediate Similarity NPC76966
0.8023 Intermediate Similarity NPC133954
0.8023 Intermediate Similarity NPC202868
0.8022 Intermediate Similarity NPC476174
0.8022 Intermediate Similarity NPC180950
0.8022 Intermediate Similarity NPC316215
0.8 Intermediate Similarity NPC66764
0.8 Intermediate Similarity NPC12722
0.8 Intermediate Similarity NPC472930
0.8 Intermediate Similarity NPC474736
0.8 Intermediate Similarity NPC470299
0.8 Intermediate Similarity NPC110150
0.7978 Intermediate Similarity NPC191684
0.7978 Intermediate Similarity NPC232202
0.7978 Intermediate Similarity NPC85173
0.7976 Intermediate Similarity NPC116797
0.7976 Intermediate Similarity NPC159148
0.7976 Intermediate Similarity NPC470298
0.7975 Intermediate Similarity NPC84790
0.7957 Intermediate Similarity NPC478056
0.7957 Intermediate Similarity NPC103051
0.7955 Intermediate Similarity NPC476796
0.7955 Intermediate Similarity NPC48107
0.7955 Intermediate Similarity NPC310752
0.7955 Intermediate Similarity NPC471793
0.7955 Intermediate Similarity NPC206060
0.7955 Intermediate Similarity NPC292491
0.7955 Intermediate Similarity NPC473229
0.7955 Intermediate Similarity NPC471791
0.7955 Intermediate Similarity NPC131470
0.7955 Intermediate Similarity NPC474854
0.7955 Intermediate Similarity NPC143767
0.7952 Intermediate Similarity NPC476177
0.7952 Intermediate Similarity NPC229204
0.7935 Intermediate Similarity NPC250757
0.7935 Intermediate Similarity NPC301534
0.7935 Intermediate Similarity NPC202833
0.7931 Intermediate Similarity NPC322159
0.7931 Intermediate Similarity NPC202394
0.7931 Intermediate Similarity NPC327115
0.7931 Intermediate Similarity NPC118648
0.7931 Intermediate Similarity NPC213412
0.7931 Intermediate Similarity NPC222613
0.7931 Intermediate Similarity NPC475022
0.7931 Intermediate Similarity NPC469994
0.7931 Intermediate Similarity NPC475862
0.7931 Intermediate Similarity NPC74363
0.7931 Intermediate Similarity NPC476043
0.7927 Intermediate Similarity NPC149550

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC93590 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
0.8353 Intermediate Similarity NPD3618 Phase 1
0.8118 Intermediate Similarity NPD3133 Approved
0.8118 Intermediate Similarity NPD3666 Approved
0.8118 Intermediate Similarity NPD3665 Phase 1
0.8095 Intermediate Similarity NPD3667 Approved
0.8068 Intermediate Similarity NPD5328 Approved
0.7931 Intermediate Similarity NPD5279 Phase 3
0.7907 Intermediate Similarity NPD4786 Approved
0.7889 Intermediate Similarity NPD6079 Approved
0.7889 Intermediate Similarity NPD7515 Phase 2
0.7816 Intermediate Similarity NPD1696 Phase 3
0.7802 Intermediate Similarity NPD4202 Approved
0.7727 Intermediate Similarity NPD4519 Discontinued
0.7727 Intermediate Similarity NPD4623 Approved
0.7647 Intermediate Similarity NPD4695 Discontinued
0.7553 Intermediate Similarity NPD5222 Approved
0.7553 Intermediate Similarity NPD4697 Phase 3
0.7553 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7553 Intermediate Similarity NPD5221 Approved
0.7527 Intermediate Similarity NPD7748 Approved
0.7526 Intermediate Similarity NPD5211 Phase 2
0.7474 Intermediate Similarity NPD4755 Approved
0.7474 Intermediate Similarity NPD5173 Approved
0.7473 Intermediate Similarity NPD4753 Phase 2
0.7471 Intermediate Similarity NPD4223 Phase 3
0.7471 Intermediate Similarity NPD4221 Approved
0.7374 Intermediate Similarity NPD5141 Approved
0.732 Intermediate Similarity NPD4700 Approved
0.732 Intermediate Similarity NPD5285 Approved
0.732 Intermediate Similarity NPD5286 Approved
0.732 Intermediate Similarity NPD4696 Approved
0.7303 Intermediate Similarity NPD3668 Phase 3
0.7303 Intermediate Similarity NPD4197 Approved
0.7292 Intermediate Similarity NPD7902 Approved
0.7262 Intermediate Similarity NPD8264 Approved
0.7245 Intermediate Similarity NPD5223 Approved
0.7241 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5329 Approved
0.7222 Intermediate Similarity NPD1694 Approved
0.7209 Intermediate Similarity NPD3617 Approved
0.7172 Intermediate Similarity NPD4633 Approved
0.7172 Intermediate Similarity NPD5226 Approved
0.7172 Intermediate Similarity NPD5225 Approved
0.7172 Intermediate Similarity NPD5224 Approved
0.7143 Intermediate Similarity NPD5280 Approved
0.7143 Intermediate Similarity NPD7521 Approved
0.7143 Intermediate Similarity NPD7334 Approved
0.7143 Intermediate Similarity NPD7640 Approved
0.7143 Intermediate Similarity NPD4690 Approved
0.7143 Intermediate Similarity NPD6684 Approved
0.7143 Intermediate Similarity NPD7146 Approved
0.7143 Intermediate Similarity NPD7639 Approved
0.7143 Intermediate Similarity NPD6409 Approved
0.7143 Intermediate Similarity NPD4693 Phase 3
0.7143 Intermediate Similarity NPD5205 Approved
0.7143 Intermediate Similarity NPD4138 Approved
0.7143 Intermediate Similarity NPD5330 Approved
0.7143 Intermediate Similarity NPD4694 Approved
0.7143 Intermediate Similarity NPD4688 Approved
0.7143 Intermediate Similarity NPD4689 Approved
0.7143 Intermediate Similarity NPD5690 Phase 2
0.7143 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD5175 Approved
0.71 Intermediate Similarity NPD5174 Approved
0.71 Intermediate Similarity NPD4754 Approved
0.7083 Intermediate Similarity NPD5210 Approved
0.7083 Intermediate Similarity NPD4629 Approved
0.7079 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6399 Phase 3
0.7041 Intermediate Similarity NPD7638 Approved
0.7041 Intermediate Similarity NPD4225 Approved
0.7011 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6989 Remote Similarity NPD6903 Approved
0.6979 Remote Similarity NPD7900 Approved
0.6979 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6977 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6961 Remote Similarity NPD5739 Approved
0.6961 Remote Similarity NPD7128 Approved
0.6961 Remote Similarity NPD4767 Approved
0.6961 Remote Similarity NPD4768 Approved
0.6961 Remote Similarity NPD6675 Approved
0.6961 Remote Similarity NPD6402 Approved
0.6944 Remote Similarity NPD7115 Discovery
0.6939 Remote Similarity NPD6084 Phase 2
0.6939 Remote Similarity NPD6083 Phase 2
0.6932 Remote Similarity NPD7645 Phase 2
0.6914 Remote Similarity NPD7331 Phase 2
0.6907 Remote Similarity NPD5695 Phase 3
0.6893 Remote Similarity NPD5701 Approved
0.6893 Remote Similarity NPD5697 Approved
0.6882 Remote Similarity NPD3573 Approved
0.6875 Remote Similarity NPD5779 Approved
0.6875 Remote Similarity NPD5133 Approved
0.6875 Remote Similarity NPD5778 Approved
0.6867 Remote Similarity NPD4137 Phase 3
0.686 Remote Similarity NPD7339 Approved
0.686 Remote Similarity NPD6942 Approved
0.6848 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4096 Approved
0.6827 Remote Similarity NPD6011 Approved
0.6827 Remote Similarity NPD5128 Approved
0.6827 Remote Similarity NPD7320 Approved
0.6827 Remote Similarity NPD5168 Approved
0.6827 Remote Similarity NPD6899 Approved
0.6827 Remote Similarity NPD4729 Approved
0.6827 Remote Similarity NPD4730 Approved
0.6827 Remote Similarity NPD6881 Approved
0.6813 Remote Similarity NPD4788 Approved
0.6809 Remote Similarity NPD5737 Approved
0.6809 Remote Similarity NPD6672 Approved
0.679 Remote Similarity NPD7341 Phase 2
0.6786 Remote Similarity NPD4747 Approved
0.6786 Remote Similarity NPD4691 Approved
0.6771 Remote Similarity NPD6411 Approved
0.6771 Remote Similarity NPD5281 Approved
0.6771 Remote Similarity NPD5284 Approved
0.6762 Remote Similarity NPD6372 Approved
0.6762 Remote Similarity NPD6013 Approved
0.6762 Remote Similarity NPD6373 Approved
0.6762 Remote Similarity NPD6014 Approved
0.6762 Remote Similarity NPD6012 Approved
0.6742 Remote Similarity NPD4195 Approved
0.6737 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6735 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6706 Remote Similarity NPD5276 Approved
0.6702 Remote Similarity NPD4751 Clinical (unspecified phase)
0.67 Remote Similarity NPD5696 Approved
0.6698 Remote Similarity NPD5251 Approved
0.6698 Remote Similarity NPD6883 Approved
0.6698 Remote Similarity NPD5249 Phase 3
0.6698 Remote Similarity NPD4634 Approved
0.6698 Remote Similarity NPD5247 Approved
0.6698 Remote Similarity NPD5250 Approved
0.6698 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6698 Remote Similarity NPD5248 Approved
0.6698 Remote Similarity NPD5135 Approved
0.6698 Remote Similarity NPD5169 Approved
0.6698 Remote Similarity NPD7290 Approved
0.6698 Remote Similarity NPD7102 Approved
0.6667 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5363 Approved
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD5785 Approved
0.6667 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5216 Approved
0.6636 Remote Similarity NPD5217 Approved
0.6636 Remote Similarity NPD6650 Approved
0.6636 Remote Similarity NPD5215 Approved
0.6636 Remote Similarity NPD5127 Approved
0.6636 Remote Similarity NPD8130 Phase 1
0.6636 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6847 Approved
0.6636 Remote Similarity NPD6617 Approved
0.6636 Remote Similarity NPD6869 Approved
0.6636 Remote Similarity NPD6649 Approved
0.6633 Remote Similarity NPD6001 Approved
0.6632 Remote Similarity NPD4518 Approved
0.6625 Remote Similarity NPD368 Approved
0.6604 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6593 Remote Similarity NPD4139 Approved
0.6593 Remote Similarity NPD6902 Approved
0.6593 Remote Similarity NPD4692 Approved
0.6574 Remote Similarity NPD8297 Approved
0.6574 Remote Similarity NPD6882 Approved
0.6571 Remote Similarity NPD6412 Phase 2
0.6562 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6101 Approved
0.6556 Remote Similarity NPD6929 Approved
0.6552 Remote Similarity NPD4058 Approved
0.6552 Remote Similarity NPD4687 Approved
0.6552 Remote Similarity NPD6926 Approved
0.6552 Remote Similarity NPD5733 Approved
0.6552 Remote Similarity NPD6924 Approved
0.6535 Remote Similarity NPD5290 Discontinued
0.6522 Remote Similarity NPD4269 Approved
0.6522 Remote Similarity NPD4270 Approved
0.6514 Remote Similarity NPD4632 Approved
0.6512 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6512 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6686 Approved
0.6505 Remote Similarity NPD7632 Discontinued
0.6494 Remote Similarity NPD342 Phase 1
0.6484 Remote Similarity NPD6931 Approved
0.6484 Remote Similarity NPD6930 Phase 2
0.6476 Remote Similarity NPD6008 Approved
0.6471 Remote Similarity NPD6404 Discontinued
0.6458 Remote Similarity NPD5208 Approved
0.6456 Remote Similarity NPD287 Approved
0.6455 Remote Similarity NPD5167 Approved
0.6452 Remote Similarity NPD5362 Discontinued
0.6444 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5693 Phase 1
0.6404 Remote Similarity NPD6933 Approved
0.64 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6274 Approved
0.6396 Remote Similarity NPD6868 Approved
0.6392 Remote Similarity NPD6904 Approved
0.6392 Remote Similarity NPD6673 Approved
0.6392 Remote Similarity NPD6080 Approved

Structure

External Identifiers

PubChem CID   57391584
ChEMBL   CHEMBL1933706
ZINC  

Physicochemical Properties

Molecular Weight:  234.16
ALogP:  0.9654
MLogP:  2.89
XLogP:  2.598
# Rotatable Bonds:  5
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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