Natural Product: NPC207772

Natural Product ID:  NPC207772
Common Name:   (-)-(1R,6S,7S,10R)-1-Hydroxycadinan-3-En-5-One
IUPAC Name:   (4aR,5R,8S,8aS)-4a-hydroxy-2,5-dimethyl-8-propan-2-yl-4,5,6,7,8,8a-hexahydronaphthalen-1-one
Synonyms:  
Molecular Formula:   C15H24O2
Standard InCHIKey:  DTKVUCPWKSABCL-QVHKTLOISA-N
Standard InCHI:  InChI=1S/C15H24O2/c1-9(2)12-6-5-11(4)15(17)8-7-10(3)14(16)13(12)15/h7,9,11-13,17H,5-6,8H2,1-4H3/t11-,12+,13-,15-/m1/s1
Canonical SMILES:  CC([C@@H]1CC[C@H]([C@]2([C@H]1C(=O)C(=CC2)C)O)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
NPO29315 Dictyopteris divaricata Species Dictyotaceae Eukaryota PMID[15497933]

  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 PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens IC50 > 10 ug/ml 21839640
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10 ug/ml 21550801
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 10 ug/ml 21550801
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 10 ug/ml 11076565

  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 NPC207772 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
0.9452 High Similarity NPC76966
0.9452 High Similarity NPC186554
0.8947 High Similarity NPC253561
0.8947 High Similarity NPC80088
0.8933 High Similarity NPC472305
0.8846 High Similarity NPC119229
0.8816 High Similarity NPC34110
0.8816 High Similarity NPC257666
0.8816 High Similarity NPC266193
0.8718 High Similarity NPC476809
0.8701 High Similarity NPC19443
0.8684 High Similarity NPC151622
0.8684 High Similarity NPC7629
0.8608 High Similarity NPC473217
0.8481 Intermediate Similarity NPC469637
0.8481 Intermediate Similarity NPC138492
0.8481 Intermediate Similarity NPC824
0.8481 Intermediate Similarity NPC233352
0.8481 Intermediate Similarity NPC472301
0.8462 Intermediate Similarity NPC178852
0.8442 Intermediate Similarity NPC239758
0.8395 Intermediate Similarity NPC64600
0.8375 Intermediate Similarity NPC226068
0.8333 Intermediate Similarity NPC197659
0.8293 Intermediate Similarity NPC251170
0.825 Intermediate Similarity NPC108955
0.8228 Intermediate Similarity NPC471409
0.8228 Intermediate Similarity NPC275494
0.8205 Intermediate Similarity NPC470525
0.8182 Intermediate Similarity NPC22134
0.8171 Intermediate Similarity NPC297398
0.8158 Intermediate Similarity NPC84790
0.8148 Intermediate Similarity NPC44963
0.8148 Intermediate Similarity NPC55869
0.8148 Intermediate Similarity NPC116797
0.8148 Intermediate Similarity NPC472684
0.8125 Intermediate Similarity NPC170394
0.8118 Intermediate Similarity NPC48107
0.8108 Intermediate Similarity NPC263161
0.8101 Intermediate Similarity NPC97377
0.8095 Intermediate Similarity NPC472974
0.8095 Intermediate Similarity NPC472488
0.8095 Intermediate Similarity NPC179591
0.8095 Intermediate Similarity NPC472479
0.8052 Intermediate Similarity NPC247586
0.8052 Intermediate Similarity NPC35656
0.8025 Intermediate Similarity NPC157895
0.8025 Intermediate Similarity NPC172013
0.8025 Intermediate Similarity NPC104120
0.8025 Intermediate Similarity NPC2482
0.8025 Intermediate Similarity NPC148685
0.8023 Intermediate Similarity NPC472688
0.8023 Intermediate Similarity NPC119416
0.8023 Intermediate Similarity NPC472676
0.8 Intermediate Similarity NPC476808
0.8 Intermediate Similarity NPC74410
0.8 Intermediate Similarity NPC62336
0.8 Intermediate Similarity NPC189485
0.7976 Intermediate Similarity NPC70685
0.7976 Intermediate Similarity NPC79573
0.7975 Intermediate Similarity NPC180886
0.7975 Intermediate Similarity NPC263582
0.7975 Intermediate Similarity NPC78935
0.7927 Intermediate Similarity NPC473420
0.7927 Intermediate Similarity NPC14151
0.7927 Intermediate Similarity NPC121984
0.7927 Intermediate Similarity NPC278459
0.7927 Intermediate Similarity NPC189237
0.7917 Intermediate Similarity NPC79576
0.7917 Intermediate Similarity NPC282694
0.7917 Intermediate Similarity NPC194208
0.7907 Intermediate Similarity NPC206060
0.7907 Intermediate Similarity NPC471791
0.7907 Intermediate Similarity NPC473229
0.7907 Intermediate Similarity NPC72397
0.7907 Intermediate Similarity NPC471724
0.7907 Intermediate Similarity NPC471793
0.7907 Intermediate Similarity NPC471722
0.7907 Intermediate Similarity NPC58271
0.7901 Intermediate Similarity NPC281138
0.7901 Intermediate Similarity NPC308038
0.7895 Intermediate Similarity NPC469914
0.7882 Intermediate Similarity NPC476043
0.7882 Intermediate Similarity NPC194417
0.7875 Intermediate Similarity NPC165711
0.7857 Intermediate Similarity NPC470812
0.7857 Intermediate Similarity NPC472480
0.7848 Intermediate Similarity NPC476795
0.7841 Intermediate Similarity NPC116726
0.7831 Intermediate Similarity NPC92226
0.7831 Intermediate Similarity NPC93590
0.7831 Intermediate Similarity NPC193347
0.7831 Intermediate Similarity NPC70479
0.7816 Intermediate Similarity NPC36668
0.7816 Intermediate Similarity NPC472475
0.7816 Intermediate Similarity NPC118011
0.7816 Intermediate Similarity NPC472983
0.7816 Intermediate Similarity NPC472489
0.7816 Intermediate Similarity NPC472477
0.7816 Intermediate Similarity NPC472973
0.7805 Intermediate Similarity NPC45495
0.7805 Intermediate Similarity NPC287817
0.7805 Intermediate Similarity NPC74445
0.7792 Intermediate Similarity NPC163020
0.7791 Intermediate Similarity NPC298904
0.7791 Intermediate Similarity NPC475740
0.7791 Intermediate Similarity NPC471792
0.7765 Intermediate Similarity NPC469993
0.7765 Intermediate Similarity NPC132228
0.7765 Intermediate Similarity NPC241512
0.7765 Intermediate Similarity NPC6185
0.7765 Intermediate Similarity NPC470574
0.7765 Intermediate Similarity NPC8518
0.7765 Intermediate Similarity NPC33663
0.7765 Intermediate Similarity NPC263997
0.7753 Intermediate Similarity NPC134826
0.775 Intermediate Similarity NPC92080
0.775 Intermediate Similarity NPC250621
0.7738 Intermediate Similarity NPC110150
0.7738 Intermediate Similarity NPC472492
0.7738 Intermediate Similarity NPC251475
0.7738 Intermediate Similarity NPC169941
0.7738 Intermediate Similarity NPC477373
0.7738 Intermediate Similarity NPC105803
0.7738 Intermediate Similarity NPC66764
0.7733 Intermediate Similarity NPC103734
0.7733 Intermediate Similarity NPC197089
0.7727 Intermediate Similarity NPC230332
0.7727 Intermediate Similarity NPC474209
0.7727 Intermediate Similarity NPC134321
0.7727 Intermediate Similarity NPC128672
0.7727 Intermediate Similarity NPC472476
0.7727 Intermediate Similarity NPC191684
0.7727 Intermediate Similarity NPC475823
0.7727 Intermediate Similarity NPC85173
0.7722 Intermediate Similarity NPC470299
0.7711 Intermediate Similarity NPC471898
0.7711 Intermediate Similarity NPC225515
0.7711 Intermediate Similarity NPC477372
0.7701 Intermediate Similarity NPC474677
0.7701 Intermediate Similarity NPC158778
0.7701 Intermediate Similarity NPC328539
0.7701 Intermediate Similarity NPC472802
0.7692 Intermediate Similarity NPC94337
0.7683 Intermediate Similarity NPC27817
0.7683 Intermediate Similarity NPC7232
0.7674 Intermediate Similarity NPC470955
0.7674 Intermediate Similarity NPC158393
0.7674 Intermediate Similarity NPC72133
0.7674 Intermediate Similarity NPC472985
0.7674 Intermediate Similarity NPC474732
0.7674 Intermediate Similarity NPC474733
0.7674 Intermediate Similarity NPC94666
0.7674 Intermediate Similarity NPC31564
0.7674 Intermediate Similarity NPC474778
0.7674 Intermediate Similarity NPC472986
0.7674 Intermediate Similarity NPC145879
0.7667 Intermediate Similarity NPC472977
0.7667 Intermediate Similarity NPC258674
0.7667 Intermediate Similarity NPC23170
0.7667 Intermediate Similarity NPC196227
0.7667 Intermediate Similarity NPC472976
0.7647 Intermediate Similarity NPC476412
0.7647 Intermediate Similarity NPC40687
0.7647 Intermediate Similarity NPC144258
0.764 Intermediate Similarity NPC131872
0.764 Intermediate Similarity NPC472975
0.764 Intermediate Similarity NPC272746
0.764 Intermediate Similarity NPC472978
0.764 Intermediate Similarity NPC99380
0.764 Intermediate Similarity NPC73457
0.7639 Intermediate Similarity NPC276764
0.7639 Intermediate Similarity NPC472304
0.7625 Intermediate Similarity NPC114236
0.7625 Intermediate Similarity NPC39362
0.7619 Intermediate Similarity NPC48362
0.7619 Intermediate Similarity NPC151519
0.7619 Intermediate Similarity NPC302661
0.7619 Intermediate Similarity NPC103486
0.7619 Intermediate Similarity NPC238991
0.7614 Intermediate Similarity NPC472970
0.7614 Intermediate Similarity NPC31985
0.7614 Intermediate Similarity NPC69627
0.7614 Intermediate Similarity NPC1015
0.7614 Intermediate Similarity NPC86319
0.7614 Intermediate Similarity NPC65615
0.7614 Intermediate Similarity NPC68148
0.7614 Intermediate Similarity NPC472971
0.7614 Intermediate Similarity NPC275740
0.759 Intermediate Similarity NPC472478
0.759 Intermediate Similarity NPC271104
0.7586 Intermediate Similarity NPC58063
0.7586 Intermediate Similarity NPC472482
0.7586 Intermediate Similarity NPC30421
0.7586 Intermediate Similarity NPC181327
0.7586 Intermediate Similarity NPC472484
0.7586 Intermediate Similarity NPC73064
0.7586 Intermediate Similarity NPC472481
0.7586 Intermediate Similarity NPC141292
0.7586 Intermediate Similarity NPC472324

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC207772 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
0.8313 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD4695 Discontinued
0.7882 Intermediate Similarity NPD3618 Phase 1
0.7831 Intermediate Similarity NPD4223 Phase 3
0.7831 Intermediate Similarity NPD4221 Approved
0.7674 Intermediate Similarity NPD5690 Phase 2
0.7647 Intermediate Similarity NPD4197 Approved
0.764 Intermediate Similarity NPD6079 Approved
0.7619 Intermediate Similarity NPD3667 Approved
0.7614 Intermediate Similarity NPD5328 Approved
0.7586 Intermediate Similarity NPD3573 Approved
0.7558 Intermediate Similarity NPD5329 Approved
0.7556 Intermediate Similarity NPD4202 Approved
0.75 Intermediate Similarity NPD7331 Phase 2
0.7471 Intermediate Similarity NPD4519 Discontinued
0.7471 Intermediate Similarity NPD5280 Approved
0.7471 Intermediate Similarity NPD4688 Approved
0.7471 Intermediate Similarity NPD4693 Phase 3
0.7471 Intermediate Similarity NPD4138 Approved
0.7471 Intermediate Similarity NPD5205 Approved
0.7471 Intermediate Similarity NPD4690 Approved
0.7471 Intermediate Similarity NPD4694 Approved
0.7471 Intermediate Similarity NPD4689 Approved
0.7471 Intermediate Similarity NPD4623 Approved
0.7444 Intermediate Similarity NPD7515 Phase 2
0.7442 Intermediate Similarity NPD3665 Phase 1
0.7442 Intermediate Similarity NPD4786 Approved
0.7442 Intermediate Similarity NPD3666 Approved
0.7442 Intermediate Similarity NPD3133 Approved
0.7368 Intermediate Similarity NPD7341 Phase 2
0.7349 Intermediate Similarity NPD3617 Approved
0.7312 Intermediate Similarity NPD5222 Approved
0.7312 Intermediate Similarity NPD5221 Approved
0.7312 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD7748 Approved
0.7263 Intermediate Similarity NPD5286 Approved
0.7263 Intermediate Similarity NPD5285 Approved
0.7263 Intermediate Similarity NPD4696 Approved
0.7262 Intermediate Similarity NPD4195 Approved
0.7234 Intermediate Similarity NPD5173 Approved
0.7234 Intermediate Similarity NPD4755 Approved
0.7222 Intermediate Similarity NPD4753 Phase 2
0.7188 Intermediate Similarity NPD5223 Approved
0.7128 Intermediate Similarity NPD4697 Phase 3
0.7125 Intermediate Similarity NPD4691 Approved
0.7113 Intermediate Similarity NPD5224 Approved
0.7113 Intermediate Similarity NPD5211 Phase 2
0.7113 Intermediate Similarity NPD5225 Approved
0.7113 Intermediate Similarity NPD5226 Approved
0.7113 Intermediate Similarity NPD4633 Approved
0.7083 Intermediate Similarity NPD4700 Approved
0.7079 Intermediate Similarity NPD5279 Phase 3
0.7065 Intermediate Similarity NPD5284 Approved
0.7065 Intermediate Similarity NPD5281 Approved
0.7053 Intermediate Similarity NPD7902 Approved
0.7045 Intermediate Similarity NPD3668 Phase 3
0.7041 Intermediate Similarity NPD5175 Approved
0.7041 Intermediate Similarity NPD5174 Approved
0.7033 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD5210 Approved
0.7021 Intermediate Similarity NPD4629 Approved
0.7 Intermediate Similarity NPD4137 Phase 3
0.697 Remote Similarity NPD5141 Approved
0.6966 Remote Similarity NPD1696 Phase 3
0.6961 Remote Similarity NPD4634 Approved
0.6957 Remote Similarity NPD4096 Approved
0.6923 Remote Similarity NPD4518 Approved
0.6914 Remote Similarity NPD4747 Approved
0.6897 Remote Similarity NPD4692 Approved
0.6897 Remote Similarity NPD4139 Approved
0.6883 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6869 Remote Similarity NPD4754 Approved
0.6867 Remote Similarity NPD4058 Approved
0.6842 Remote Similarity NPD5695 Phase 3
0.6832 Remote Similarity NPD5697 Approved
0.6809 Remote Similarity NPD5133 Approved
0.6809 Remote Similarity NPD6399 Phase 3
0.6778 Remote Similarity NPD1694 Approved
0.6765 Remote Similarity NPD6011 Approved
0.6765 Remote Similarity NPD5128 Approved
0.6765 Remote Similarity NPD4729 Approved
0.6765 Remote Similarity NPD6899 Approved
0.6765 Remote Similarity NPD6881 Approved
0.6765 Remote Similarity NPD4730 Approved
0.6742 Remote Similarity NPD4788 Approved
0.6739 Remote Similarity NPD5208 Approved
0.6737 Remote Similarity NPD6001 Approved
0.6737 Remote Similarity NPD7900 Approved
0.6737 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6733 Remote Similarity NPD4768 Approved
0.6733 Remote Similarity NPD6402 Approved
0.6733 Remote Similarity NPD7128 Approved
0.6733 Remote Similarity NPD5739 Approved
0.6733 Remote Similarity NPD4767 Approved
0.6733 Remote Similarity NPD6675 Approved
0.6729 Remote Similarity NPD7115 Discovery
0.6703 Remote Similarity NPD7146 Approved
0.6703 Remote Similarity NPD6684 Approved
0.6703 Remote Similarity NPD7521 Approved
0.6703 Remote Similarity NPD7334 Approved
0.6703 Remote Similarity NPD6409 Approved
0.6703 Remote Similarity NPD5330 Approved
0.6701 Remote Similarity NPD6083 Phase 2
0.6701 Remote Similarity NPD6084 Phase 2
0.6699 Remote Similarity NPD6013 Approved
0.6699 Remote Similarity NPD6014 Approved
0.6699 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6080 Approved
0.6667 Remote Similarity NPD6101 Approved
0.6667 Remote Similarity NPD4687 Approved
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5733 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD6904 Approved
0.6667 Remote Similarity NPD6673 Approved
0.6635 Remote Similarity NPD7102 Approved
0.6635 Remote Similarity NPD5135 Approved
0.6635 Remote Similarity NPD5247 Approved
0.6635 Remote Similarity NPD5249 Phase 3
0.6635 Remote Similarity NPD5250 Approved
0.6635 Remote Similarity NPD5248 Approved
0.6635 Remote Similarity NPD5169 Approved
0.6635 Remote Similarity NPD7290 Approved
0.6635 Remote Similarity NPD5251 Approved
0.6635 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6635 Remote Similarity NPD6883 Approved
0.6633 Remote Similarity NPD4225 Approved
0.6633 Remote Similarity NPD5696 Approved
0.6627 Remote Similarity NPD5276 Approved
0.6602 Remote Similarity NPD7320 Approved
0.6602 Remote Similarity NPD5168 Approved
0.66 Remote Similarity NPD5091 Approved
0.6598 Remote Similarity NPD7614 Phase 1
0.6596 Remote Similarity NPD5207 Approved
0.6596 Remote Similarity NPD5692 Phase 3
0.6591 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6579 Remote Similarity NPD287 Approved
0.6571 Remote Similarity NPD8130 Phase 1
0.6571 Remote Similarity NPD5216 Approved
0.6571 Remote Similarity NPD6617 Approved
0.6571 Remote Similarity NPD6650 Approved
0.6571 Remote Similarity NPD6847 Approved
0.6571 Remote Similarity NPD5215 Approved
0.6571 Remote Similarity NPD6649 Approved
0.6571 Remote Similarity NPD6869 Approved
0.6571 Remote Similarity NPD5127 Approved
0.6571 Remote Similarity NPD5217 Approved
0.6559 Remote Similarity NPD6903 Approved
0.6559 Remote Similarity NPD5737 Approved
0.6559 Remote Similarity NPD6672 Approved
0.6559 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6373 Approved
0.6538 Remote Similarity NPD6372 Approved
0.6526 Remote Similarity NPD6050 Approved
0.6526 Remote Similarity NPD5694 Approved
0.6526 Remote Similarity NPD5693 Phase 1
0.6526 Remote Similarity NPD6411 Approved
0.6522 Remote Similarity NPD6098 Approved
0.6512 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6882 Approved
0.6509 Remote Similarity NPD8297 Approved
0.6477 Remote Similarity NPD7645 Phase 2
0.6471 Remote Similarity NPD4785 Approved
0.6471 Remote Similarity NPD4784 Approved
0.6463 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5778 Approved
0.6458 Remote Similarity NPD5779 Approved
0.6449 Remote Similarity NPD4632 Approved
0.6444 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4243 Approved
0.6415 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6413 Remote Similarity NPD5363 Approved
0.6413 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6408 Remote Similarity NPD6008 Approved
0.6404 Remote Similarity NPD7525 Registered
0.6396 Remote Similarity NPD6054 Approved
0.6396 Remote Similarity NPD6319 Approved
0.6395 Remote Similarity NPD6942 Approved
0.6395 Remote Similarity NPD7339 Approved
0.6392 Remote Similarity NPD5282 Discontinued
0.6389 Remote Similarity NPD5167 Approved
0.6339 Remote Similarity NPD6015 Approved
0.6339 Remote Similarity NPD6016 Approved
0.6333 Remote Similarity NPD5369 Approved
0.633 Remote Similarity NPD6274 Approved
0.63 Remote Similarity NPD5290 Discontinued
0.63 Remote Similarity NPD7638 Approved
0.6283 Remote Similarity NPD5988 Approved
0.6283 Remote Similarity NPD6370 Approved
0.6273 Remote Similarity NPD6317 Approved
0.6273 Remote Similarity NPD6009 Approved
0.6265 Remote Similarity NPD5360 Phase 3
0.6265 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6264 Remote Similarity NPD4800 Clinical (unspecified phase)
0.625 Remote Similarity NPD6059 Approved
0.6238 Remote Similarity NPD7640 Approved
0.6238 Remote Similarity NPD6404 Discontinued
0.6238 Remote Similarity NPD7639 Approved
0.622 Remote Similarity NPD6108 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11207108
ChEMBL   CHEMBL462776
ZINC  

Physicochemical Properties

Molecular Weight:  236.18
ALogP:  0.7343
MLogP:  2.89
XLogP:  2.925
# Rotatable Bonds:  6
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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