Natural Product: NPC34110

Natural Product ID:  NPC34110
Common Name:   (-)-(1R,7S,10R)-1-Hydroxy-11-Norcadinan-5-En-4-One
IUPAC Name:   (4aR,5R,8S)-4a-hydroxy-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Synonyms:  
Molecular Formula:   C14H22O2
Standard InCHIKey:  QSCUHKDLNLVMNB-SCDSUCTJSA-N
Standard InCHI:  InChI=1S/C14H22O2/c1-9(2)12-5-4-10(3)14(16)7-6-11(15)8-13(12)14/h8-10,12,16H,4-7H2,1-3H3/t10-,12+,14-/m1/s1
Canonical SMILES:  O=C1CC[C@@]2(C(=C1)[C@@H](CC[C@H]2C)C(C)C)O
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
NPO29315 Dictyopteris divaricata Species Dictyotaceae Eukaryota PMID[16180804]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT547 Cell Line BGC-823 Homo sapiens IC50 > 10 ug/ml 17993275
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10 ug/ml 17993275
NPT81 Cell Line A549 Homo sapiens IC50 > 10 ug/ml 17993275
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 10 ug/ml 1965200
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 10 ug/ml 1965200

  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 NPC34110 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
0.9583 High Similarity NPC7629
0.9583 High Similarity NPC151622
0.9583 High Similarity NPC472305
0.9315 High Similarity NPC76966
0.9315 High Similarity NPC186554
0.9211 High Similarity NPC226068
0.9189 High Similarity NPC257666
0.9189 High Similarity NPC266193
0.9079 High Similarity NPC472301
0.8904 High Similarity NPC247586
0.8831 High Similarity NPC233352
0.8831 High Similarity NPC138492
0.8831 High Similarity NPC172013
0.8831 High Similarity NPC824
0.8816 High Similarity NPC275494
0.8816 High Similarity NPC207772
0.8816 High Similarity NPC471409
0.8701 High Similarity NPC308038
0.8659 High Similarity NPC48107
0.8571 High Similarity NPC253561
0.8571 High Similarity NPC19443
0.8571 High Similarity NPC80088
0.8553 High Similarity NPC263582
0.8537 High Similarity NPC471792
0.85 High Similarity NPC297398
0.8462 Intermediate Similarity NPC281138
0.8462 Intermediate Similarity NPC170394
0.8452 Intermediate Similarity NPC134321
0.8442 Intermediate Similarity NPC197659
0.8442 Intermediate Similarity NPC97377
0.84 Intermediate Similarity NPC35656
0.8375 Intermediate Similarity NPC93590
0.8354 Intermediate Similarity NPC104120
0.8354 Intermediate Similarity NPC148685
0.8354 Intermediate Similarity NPC476809
0.8354 Intermediate Similarity NPC157895
0.8354 Intermediate Similarity NPC469637
0.8353 Intermediate Similarity NPC116726
0.8333 Intermediate Similarity NPC62336
0.8272 Intermediate Similarity NPC64600
0.8267 Intermediate Similarity NPC84790
0.825 Intermediate Similarity NPC119229
0.825 Intermediate Similarity NPC473217
0.8235 Intermediate Similarity NPC128672
0.8214 Intermediate Similarity NPC471793
0.8214 Intermediate Similarity NPC471791
0.8205 Intermediate Similarity NPC74995
0.8193 Intermediate Similarity NPC472974
0.8193 Intermediate Similarity NPC472986
0.8193 Intermediate Similarity NPC472985
0.8193 Intermediate Similarity NPC476043
0.8182 Intermediate Similarity NPC476795
0.8171 Intermediate Similarity NPC476412
0.8171 Intermediate Similarity NPC251170
0.8161 Intermediate Similarity NPC196227
0.8148 Intermediate Similarity NPC92226
0.8125 Intermediate Similarity NPC287817
0.8125 Intermediate Similarity NPC271104
0.8125 Intermediate Similarity NPC74445
0.8118 Intermediate Similarity NPC472973
0.8118 Intermediate Similarity NPC118011
0.8118 Intermediate Similarity NPC36668
0.8118 Intermediate Similarity NPC472983
0.8101 Intermediate Similarity NPC179028
0.8077 Intermediate Similarity NPC180886
0.8072 Intermediate Similarity NPC70685
0.8068 Intermediate Similarity NPC271195
0.8068 Intermediate Similarity NPC476245
0.8049 Intermediate Similarity NPC66764
0.8049 Intermediate Similarity NPC169941
0.8049 Intermediate Similarity NPC251475
0.8049 Intermediate Similarity NPC105173
0.8049 Intermediate Similarity NPC110150
0.8049 Intermediate Similarity NPC49019
0.8 Intermediate Similarity NPC72397
0.8 Intermediate Similarity NPC152061
0.8 Intermediate Similarity NPC136473
0.7976 Intermediate Similarity NPC194417
0.7975 Intermediate Similarity NPC132542
0.7975 Intermediate Similarity NPC165711
0.7975 Intermediate Similarity NPC61952
0.7973 Intermediate Similarity NPC263161
0.7952 Intermediate Similarity NPC40687
0.7952 Intermediate Similarity NPC470812
0.7949 Intermediate Similarity NPC39362
0.7931 Intermediate Similarity NPC475806
0.7931 Intermediate Similarity NPC472978
0.7931 Intermediate Similarity NPC252433
0.7927 Intermediate Similarity NPC193347
0.7922 Intermediate Similarity NPC56747
0.7922 Intermediate Similarity NPC180015
0.7922 Intermediate Similarity NPC130016
0.7922 Intermediate Similarity NPC109576
0.7917 Intermediate Similarity NPC174956
0.7907 Intermediate Similarity NPC474918
0.7907 Intermediate Similarity NPC472688
0.7907 Intermediate Similarity NPC309603
0.7907 Intermediate Similarity NPC473999
0.7907 Intermediate Similarity NPC472676
0.7901 Intermediate Similarity NPC2482
0.7901 Intermediate Similarity NPC108955
0.7882 Intermediate Similarity NPC136948
0.7882 Intermediate Similarity NPC476409
0.7875 Intermediate Similarity NPC475994
0.7875 Intermediate Similarity NPC189485
0.7875 Intermediate Similarity NPC198240
0.7875 Intermediate Similarity NPC476808
0.7875 Intermediate Similarity NPC297996
0.7875 Intermediate Similarity NPC74410
0.7865 Intermediate Similarity NPC316215
0.7865 Intermediate Similarity NPC259286
0.7857 Intermediate Similarity NPC476426
0.7857 Intermediate Similarity NPC52628
0.7848 Intermediate Similarity NPC470525
0.7848 Intermediate Similarity NPC239758
0.7841 Intermediate Similarity NPC69454
0.7838 Intermediate Similarity NPC103734
0.7831 Intermediate Similarity NPC97913
0.7821 Intermediate Similarity NPC470299
0.7816 Intermediate Similarity NPC473099
0.7816 Intermediate Similarity NPC230332
0.7816 Intermediate Similarity NPC48010
0.7805 Intermediate Similarity NPC472684
0.7805 Intermediate Similarity NPC471898
0.7805 Intermediate Similarity NPC477372
0.7805 Intermediate Similarity NPC55869
0.7805 Intermediate Similarity NPC470298
0.7805 Intermediate Similarity NPC44963
0.7805 Intermediate Similarity NPC278459
0.7805 Intermediate Similarity NPC121984
0.7792 Intermediate Similarity NPC23954
0.7791 Intermediate Similarity NPC58271
0.7791 Intermediate Similarity NPC472802
0.7778 Intermediate Similarity NPC117133
0.7778 Intermediate Similarity NPC79576
0.7778 Intermediate Similarity NPC249954
0.7778 Intermediate Similarity NPC282694
0.7778 Intermediate Similarity NPC19900
0.7778 Intermediate Similarity NPC194208
0.7765 Intermediate Similarity NPC198761
0.7765 Intermediate Similarity NPC472488
0.7765 Intermediate Similarity NPC472479
0.7765 Intermediate Similarity NPC473226
0.7765 Intermediate Similarity NPC472869
0.7765 Intermediate Similarity NPC179591
0.7765 Intermediate Similarity NPC470955
0.7765 Intermediate Similarity NPC82979
0.7763 Intermediate Similarity NPC469914
0.7753 Intermediate Similarity NPC472976
0.7753 Intermediate Similarity NPC299100
0.7753 Intermediate Similarity NPC472977
0.7753 Intermediate Similarity NPC8993
0.775 Intermediate Similarity NPC203403
0.7746 Intermediate Similarity NPC276764
0.7746 Intermediate Similarity NPC472304
0.7738 Intermediate Similarity NPC472865
0.7738 Intermediate Similarity NPC144258
0.7738 Intermediate Similarity NPC164577
0.7733 Intermediate Similarity NPC278895
0.7727 Intermediate Similarity NPC233116
0.7727 Intermediate Similarity NPC472975
0.7727 Intermediate Similarity NPC473998
0.7727 Intermediate Similarity NPC63748
0.7722 Intermediate Similarity NPC476346
0.7722 Intermediate Similarity NPC114236
0.7717 Intermediate Similarity NPC154072
0.7711 Intermediate Similarity NPC158411
0.7711 Intermediate Similarity NPC38796
0.7701 Intermediate Similarity NPC473100
0.7701 Intermediate Similarity NPC472971
0.7701 Intermediate Similarity NPC472970
0.7701 Intermediate Similarity NPC262043
0.7701 Intermediate Similarity NPC119416
0.7692 Intermediate Similarity NPC323437
0.7692 Intermediate Similarity NPC186042
0.7692 Intermediate Similarity NPC153660
0.7692 Intermediate Similarity NPC220939
0.7692 Intermediate Similarity NPC170131
0.7692 Intermediate Similarity NPC29542
0.7692 Intermediate Similarity NPC265485
0.7692 Intermediate Similarity NPC201562
0.7683 Intermediate Similarity NPC471514
0.7683 Intermediate Similarity NPC306095
0.7683 Intermediate Similarity NPC45495
0.7674 Intermediate Similarity NPC231599
0.7674 Intermediate Similarity NPC181327
0.7671 Intermediate Similarity NPC81615
0.7667 Intermediate Similarity NPC180950
0.7662 Intermediate Similarity NPC163020
0.7654 Intermediate Similarity NPC321514
0.7654 Intermediate Similarity NPC178852
0.7647 Intermediate Similarity NPC179006
0.7647 Intermediate Similarity NPC474083
0.7647 Intermediate Similarity NPC474853
0.7647 Intermediate Similarity NPC471224
0.7647 Intermediate Similarity NPC274724
0.7647 Intermediate Similarity NPC470574
0.764 Intermediate Similarity NPC476416
0.764 Intermediate Similarity NPC109305
0.764 Intermediate Similarity NPC472930

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC34110 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
0.8193 Intermediate Similarity NPD4623 Approved
0.8193 Intermediate Similarity NPD4519 Discontinued
0.7976 Intermediate Similarity NPD3618 Phase 1
0.7976 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD4223 Phase 3
0.7927 Intermediate Similarity NPD4221 Approved
0.7738 Intermediate Similarity NPD4197 Approved
0.7683 Intermediate Similarity NPD4695 Discontinued
0.7647 Intermediate Similarity NPD5329 Approved
0.76 Intermediate Similarity NPD7331 Phase 2
0.7558 Intermediate Similarity NPD4693 Phase 3
0.7558 Intermediate Similarity NPD4689 Approved
0.7558 Intermediate Similarity NPD4688 Approved
0.7558 Intermediate Similarity NPD4138 Approved
0.7558 Intermediate Similarity NPD5690 Phase 2
0.7558 Intermediate Similarity NPD4690 Approved
0.7558 Intermediate Similarity NPD5280 Approved
0.7558 Intermediate Similarity NPD5205 Approved
0.7558 Intermediate Similarity NPD4694 Approved
0.7529 Intermediate Similarity NPD3666 Approved
0.7529 Intermediate Similarity NPD3133 Approved
0.7529 Intermediate Similarity NPD3665 Phase 1
0.75 Intermediate Similarity NPD5328 Approved
0.7467 Intermediate Similarity NPD7341 Phase 2
0.7444 Intermediate Similarity NPD4202 Approved
0.7439 Intermediate Similarity NPD3617 Approved
0.7333 Intermediate Similarity NPD7515 Phase 2
0.7333 Intermediate Similarity NPD5281 Approved
0.7333 Intermediate Similarity NPD6079 Approved
0.7333 Intermediate Similarity NPD5284 Approved
0.7303 Intermediate Similarity NPD4753 Phase 2
0.7294 Intermediate Similarity NPD3667 Approved
0.7273 Intermediate Similarity NPD3573 Approved
0.7241 Intermediate Similarity NPD1694 Approved
0.7204 Intermediate Similarity NPD4697 Phase 3
0.7188 Intermediate Similarity NPD5211 Phase 2
0.7174 Intermediate Similarity NPD7748 Approved
0.7159 Intermediate Similarity NPD5279 Phase 3
0.7143 Intermediate Similarity NPD4195 Approved
0.7128 Intermediate Similarity NPD7902 Approved
0.7128 Intermediate Similarity NPD4755 Approved
0.7126 Intermediate Similarity NPD4786 Approved
0.7097 Intermediate Similarity NPD5210 Approved
0.7097 Intermediate Similarity NPD4629 Approved
0.7089 Intermediate Similarity NPD4137 Phase 3
0.7045 Intermediate Similarity NPD1696 Phase 3
0.7041 Intermediate Similarity NPD5141 Approved
0.7033 Intermediate Similarity NPD4096 Approved
0.7021 Intermediate Similarity NPD5221 Approved
0.7021 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD5222 Approved
0.7 Intermediate Similarity NPD4747 Approved
0.7 Intermediate Similarity NPD4691 Approved
0.6989 Remote Similarity NPD6001 Approved
0.6979 Remote Similarity NPD4700 Approved
0.6979 Remote Similarity NPD5285 Approved
0.6979 Remote Similarity NPD4696 Approved
0.6979 Remote Similarity NPD5286 Approved
0.6977 Remote Similarity NPD4139 Approved
0.6977 Remote Similarity NPD4692 Approved
0.6947 Remote Similarity NPD5173 Approved
0.6923 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6915 Remote Similarity NPD5695 Phase 3
0.6915 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6907 Remote Similarity NPD5223 Approved
0.6882 Remote Similarity NPD5133 Approved
0.6875 Remote Similarity NPD5696 Approved
0.6848 Remote Similarity NPD5207 Approved
0.6842 Remote Similarity NPD368 Approved
0.6837 Remote Similarity NPD5224 Approved
0.6837 Remote Similarity NPD5226 Approved
0.6837 Remote Similarity NPD4633 Approved
0.6837 Remote Similarity NPD5225 Approved
0.6813 Remote Similarity NPD4518 Approved
0.6813 Remote Similarity NPD5208 Approved
0.6809 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6809 Remote Similarity NPD7900 Approved
0.6778 Remote Similarity NPD7521 Approved
0.6778 Remote Similarity NPD7146 Approved
0.6778 Remote Similarity NPD6684 Approved
0.6778 Remote Similarity NPD6409 Approved
0.6778 Remote Similarity NPD5330 Approved
0.6778 Remote Similarity NPD7334 Approved
0.6774 Remote Similarity NPD5693 Phase 1
0.6771 Remote Similarity NPD6084 Phase 2
0.6771 Remote Similarity NPD6083 Phase 2
0.6768 Remote Similarity NPD5174 Approved
0.6768 Remote Similarity NPD4754 Approved
0.6768 Remote Similarity NPD5175 Approved
0.6747 Remote Similarity NPD4058 Approved
0.6747 Remote Similarity NPD4687 Approved
0.6747 Remote Similarity NPD5733 Approved
0.6742 Remote Similarity NPD3668 Phase 3
0.6739 Remote Similarity NPD6673 Approved
0.6739 Remote Similarity NPD6080 Approved
0.6739 Remote Similarity NPD6904 Approved
0.6707 Remote Similarity NPD5276 Approved
0.6705 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6702 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD287 Approved
0.6667 Remote Similarity NPD5692 Phase 3
0.6667 Remote Similarity NPD5091 Approved
0.6636 Remote Similarity NPD7115 Discovery
0.6634 Remote Similarity NPD4768 Approved
0.6634 Remote Similarity NPD7128 Approved
0.6634 Remote Similarity NPD6402 Approved
0.6634 Remote Similarity NPD5739 Approved
0.6634 Remote Similarity NPD4767 Approved
0.6634 Remote Similarity NPD6675 Approved
0.6633 Remote Similarity NPD7640 Approved
0.6633 Remote Similarity NPD7639 Approved
0.6633 Remote Similarity NPD6404 Discontinued
0.663 Remote Similarity NPD7513 Clinical (unspecified phase)
0.663 Remote Similarity NPD6903 Approved
0.663 Remote Similarity NPD5737 Approved
0.663 Remote Similarity NPD6672 Approved
0.6629 Remote Similarity NPD4788 Approved
0.6602 Remote Similarity NPD6372 Approved
0.6602 Remote Similarity NPD6373 Approved
0.6596 Remote Similarity NPD6050 Approved
0.6596 Remote Similarity NPD5694 Approved
0.6593 Remote Similarity NPD6098 Approved
0.6569 Remote Similarity NPD5701 Approved
0.6569 Remote Similarity NPD5697 Approved
0.6543 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6538 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4225 Approved
0.6531 Remote Similarity NPD7638 Approved
0.6526 Remote Similarity NPD5778 Approved
0.6526 Remote Similarity NPD5779 Approved
0.6517 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6506 Remote Similarity NPD4243 Approved
0.6505 Remote Similarity NPD4729 Approved
0.6505 Remote Similarity NPD6881 Approved
0.6505 Remote Similarity NPD4730 Approved
0.6505 Remote Similarity NPD6899 Approved
0.6505 Remote Similarity NPD5128 Approved
0.6505 Remote Similarity NPD6011 Approved
0.6505 Remote Similarity NPD7320 Approved
0.6495 Remote Similarity NPD7614 Phase 1
0.6486 Remote Similarity NPD342 Phase 1
0.6484 Remote Similarity NPD5363 Approved
0.6476 Remote Similarity NPD6650 Approved
0.6476 Remote Similarity NPD6649 Approved
0.6442 Remote Similarity NPD6013 Approved
0.6442 Remote Similarity NPD6014 Approved
0.6442 Remote Similarity NPD6012 Approved
0.6381 Remote Similarity NPD7102 Approved
0.6381 Remote Similarity NPD5250 Approved
0.6381 Remote Similarity NPD4634 Approved
0.6381 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5251 Approved
0.6381 Remote Similarity NPD5249 Phase 3
0.6381 Remote Similarity NPD5135 Approved
0.6381 Remote Similarity NPD6883 Approved
0.6381 Remote Similarity NPD5169 Approved
0.6381 Remote Similarity NPD5247 Approved
0.6381 Remote Similarity NPD7290 Approved
0.6381 Remote Similarity NPD5248 Approved
0.6364 Remote Similarity NPD7645 Phase 2
0.6353 Remote Similarity NPD4784 Approved
0.6353 Remote Similarity NPD4785 Approved
0.6346 Remote Similarity NPD5168 Approved
0.6333 Remote Similarity NPD4270 Approved
0.6333 Remote Similarity NPD4269 Approved
0.6322 Remote Similarity NPD4756 Discovery
0.6321 Remote Similarity NPD5217 Approved
0.6321 Remote Similarity NPD6869 Approved
0.6321 Remote Similarity NPD6617 Approved
0.6321 Remote Similarity NPD5216 Approved
0.6321 Remote Similarity NPD8130 Phase 1
0.6321 Remote Similarity NPD5127 Approved
0.6321 Remote Similarity NPD5215 Approved
0.6321 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6321 Remote Similarity NPD6847 Approved
0.6311 Remote Similarity NPD6008 Approved
0.6304 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6292 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6292 Remote Similarity NPD7525 Registered
0.6279 Remote Similarity NPD4190 Phase 3
0.6279 Remote Similarity NPD8264 Approved
0.6279 Remote Similarity NPD5275 Approved
0.6262 Remote Similarity NPD8297 Approved
0.6262 Remote Similarity NPD6882 Approved
0.625 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6226 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6224 Remote Similarity NPD5654 Approved
0.6211 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6211 Remote Similarity NPD6101 Approved
0.6207 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6204 Remote Similarity NPD4632 Approved
0.617 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6147 Remote Similarity NPD5167 Approved
0.6146 Remote Similarity NPD5785 Approved
0.6145 Remote Similarity NPD5360 Phase 3
0.6145 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6133 Remote Similarity NPD615 Clinical (unspecified phase)
0.6132 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6122 Remote Similarity NPD5282 Discontinued
0.6122 Remote Similarity NPD5122 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11644246
ChEMBL   CHEMBL507300
ZINC  

Physicochemical Properties

Molecular Weight:  222.16
ALogP:  0.6301
MLogP:  2.78
XLogP:  2.152
# Rotatable Bonds:  5
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

Download Data

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Structure MOL file  
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Biological Activities  
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