Natural Product: NPC470041

Natural Product ID:  NPC470041
Common Name:   Dictyol C
IUPAC Name:   (3aS,4S,5R,6R,8S,8aR)-3,8-dimethyl-5-[(2R)-6-methylhept-5-en-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,6,8-triol
Synonyms:   Dictyol C
Molecular Formula:   C20H34O3
Standard InCHIKey:  BGMRRLCQETUGKE-ZSGYZSAGSA-N
Standard InCHI:  InChI=1S/C20H34O3/c1-12(2)7-6-8-13(3)18-16(21)11-20(5,23)15-10-9-14(4)17(15)19(18)22/h7,9,13,15-19,21-23H,6,8,10-11H2,1-5H3/t13-,15-,16-,17-,18-,19+,20+/m1/s1
Canonical SMILES:  CC(=CCC[C@H]([C@@H]1[C@H](O)C[C@]([C@H]2[C@H]([C@@H]1O)C(=CC2)C)(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
NPO32968 dictoyota dichotoma Species NA NA PMID[21130542]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 18 % 7562925
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 160.6 ug/ml 18929486
NPT632 Tissue Brain Rattus norvegicus Inhibition = 57.72 % 7769392
NPT83 Cell Line MCF7 Homo sapiens IC50 = 140.5 ug/ml 25101911
NPT65 Cell Line HepG2 Homo sapiens IC50 = 100.7 ug/ml 12828466

  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 NPC470041 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
0.9538 High Similarity NPC472253
0.9538 High Similarity NPC472255
0.9385 High Similarity NPC272125
0.8923 High Similarity NPC279200
0.8485 Intermediate Similarity NPC274704
0.8358 Intermediate Similarity NPC211291
0.8358 Intermediate Similarity NPC133368
0.831 Intermediate Similarity NPC471781
0.8169 Intermediate Similarity NPC144647
0.8133 Intermediate Similarity NPC31037
0.8116 Intermediate Similarity NPC469326
0.8116 Intermediate Similarity NPC205618
0.8116 Intermediate Similarity NPC261782
0.8082 Intermediate Similarity NPC476709
0.803 Intermediate Similarity NPC475830
0.8028 Intermediate Similarity NPC224532
0.7945 Intermediate Similarity NPC471662
0.7941 Intermediate Similarity NPC63111
0.7887 Intermediate Similarity NPC73603
0.7867 Intermediate Similarity NPC328104
0.7867 Intermediate Similarity NPC319090
0.7857 Intermediate Similarity NPC238352
0.7857 Intermediate Similarity NPC471200
0.7857 Intermediate Similarity NPC19569
0.7857 Intermediate Similarity NPC477009
0.7821 Intermediate Similarity NPC324772
0.7778 Intermediate Similarity NPC167527
0.7733 Intermediate Similarity NPC329090
0.7733 Intermediate Similarity NPC27395
0.7733 Intermediate Similarity NPC471659
0.7727 Intermediate Similarity NPC274396
0.7722 Intermediate Similarity NPC320525
0.7714 Intermediate Similarity NPC309300
0.7703 Intermediate Similarity NPC41886
0.7692 Intermediate Similarity NPC476701
0.7671 Intermediate Similarity NPC74722
0.7671 Intermediate Similarity NPC304690
0.7662 Intermediate Similarity NPC476703
0.7662 Intermediate Similarity NPC471454
0.7647 Intermediate Similarity NPC52431
0.7647 Intermediate Similarity NPC122239
0.7647 Intermediate Similarity NPC310228
0.7647 Intermediate Similarity NPC475931
0.7647 Intermediate Similarity NPC5698
0.7639 Intermediate Similarity NPC136813
0.7632 Intermediate Similarity NPC113639
0.7632 Intermediate Similarity NPC23231
0.7632 Intermediate Similarity NPC60818
0.7612 Intermediate Similarity NPC278550
0.7606 Intermediate Similarity NPC61503
0.76 Intermediate Similarity NPC474140
0.7571 Intermediate Similarity NPC473508
0.7564 Intermediate Similarity NPC87604
0.7536 Intermediate Similarity NPC323153
0.7534 Intermediate Similarity NPC305698
0.7532 Intermediate Similarity NPC126969
0.7532 Intermediate Similarity NPC315261
0.7531 Intermediate Similarity NPC320548
0.75 Intermediate Similarity NPC311736
0.75 Intermediate Similarity NPC469328
0.75 Intermediate Similarity NPC471661
0.75 Intermediate Similarity NPC10017
0.75 Intermediate Similarity NPC226848
0.75 Intermediate Similarity NPC470383
0.7468 Intermediate Similarity NPC472463
0.7465 Intermediate Similarity NPC300593
0.7439 Intermediate Similarity NPC474493
0.7436 Intermediate Similarity NPC155986
0.7436 Intermediate Similarity NPC318495
0.7436 Intermediate Similarity NPC198968
0.7432 Intermediate Similarity NPC16964
0.7432 Intermediate Similarity NPC239373
0.7432 Intermediate Similarity NPC329989
0.7429 Intermediate Similarity NPC210346
0.7429 Intermediate Similarity NPC475251
0.7407 Intermediate Similarity NPC248886
0.7407 Intermediate Similarity NPC470614
0.7407 Intermediate Similarity NPC472465
0.7407 Intermediate Similarity NPC1272
0.7403 Intermediate Similarity NPC12696
0.7397 Intermediate Similarity NPC163290
0.7397 Intermediate Similarity NPC477791
0.7397 Intermediate Similarity NPC259299
0.7391 Intermediate Similarity NPC469321
0.7375 Intermediate Similarity NPC26117
0.7353 Intermediate Similarity NPC52012
0.7342 Intermediate Similarity NPC477089
0.7308 Intermediate Similarity NPC471658
0.7308 Intermediate Similarity NPC310643
0.7308 Intermediate Similarity NPC107059
0.7308 Intermediate Similarity NPC170148
0.7308 Intermediate Similarity NPC321381
0.7308 Intermediate Similarity NPC321016
0.7286 Intermediate Similarity NPC252809
0.7286 Intermediate Similarity NPC99487
0.7286 Intermediate Similarity NPC471081
0.7284 Intermediate Similarity NPC209620
0.7284 Intermediate Similarity NPC23852
0.7273 Intermediate Similarity NPC192962
0.7273 Intermediate Similarity NPC190859
0.7262 Intermediate Similarity NPC6391
0.7262 Intermediate Similarity NPC293287
0.7262 Intermediate Similarity NPC201273
0.7262 Intermediate Similarity NPC152808
0.726 Intermediate Similarity NPC267027
0.725 Intermediate Similarity NPC273410
0.725 Intermediate Similarity NPC80530
0.725 Intermediate Similarity NPC328714
0.7246 Intermediate Similarity NPC181872
0.7241 Intermediate Similarity NPC133698
0.7241 Intermediate Similarity NPC131209
0.7237 Intermediate Similarity NPC471660
0.7229 Intermediate Similarity NPC222634
0.7229 Intermediate Similarity NPC124172
0.7229 Intermediate Similarity NPC242016
0.7222 Intermediate Similarity NPC287744
0.7222 Intermediate Similarity NPC225415
0.7222 Intermediate Similarity NPC290367
0.7222 Intermediate Similarity NPC140233
0.7215 Intermediate Similarity NPC476439
0.7209 Intermediate Similarity NPC470361
0.72 Intermediate Similarity NPC167272
0.72 Intermediate Similarity NPC269877
0.72 Intermediate Similarity NPC217570
0.72 Intermediate Similarity NPC474900
0.72 Intermediate Similarity NPC90115
0.7195 Intermediate Similarity NPC50964
0.7179 Intermediate Similarity NPC230301
0.7179 Intermediate Similarity NPC304309
0.7179 Intermediate Similarity NPC288035
0.7179 Intermediate Similarity NPC285893
0.7179 Intermediate Similarity NPC134847
0.7179 Intermediate Similarity NPC162742
0.7179 Intermediate Similarity NPC136188
0.7179 Intermediate Similarity NPC28657
0.7179 Intermediate Similarity NPC22105
0.7162 Intermediate Similarity NPC82337
0.716 Intermediate Similarity NPC322313
0.716 Intermediate Similarity NPC164840
0.716 Intermediate Similarity NPC241290
0.716 Intermediate Similarity NPC102253
0.716 Intermediate Similarity NPC236237
0.716 Intermediate Similarity NPC209944
0.7143 Intermediate Similarity NPC474189
0.7143 Intermediate Similarity NPC474349
0.7126 Intermediate Similarity NPC270511
0.7126 Intermediate Similarity NPC245410
0.7126 Intermediate Similarity NPC209816
0.7126 Intermediate Similarity NPC3345
0.7126 Intermediate Similarity NPC80561
0.7126 Intermediate Similarity NPC470390
0.7126 Intermediate Similarity NPC192437
0.7126 Intermediate Similarity NPC204188
0.7126 Intermediate Similarity NPC14380
0.7126 Intermediate Similarity NPC329596
0.7126 Intermediate Similarity NPC11216
0.7126 Intermediate Similarity NPC291484
0.7125 Intermediate Similarity NPC285761
0.7125 Intermediate Similarity NPC275910
0.7125 Intermediate Similarity NPC244385
0.7125 Intermediate Similarity NPC475980
0.7125 Intermediate Similarity NPC473943
0.7125 Intermediate Similarity NPC148977
0.7125 Intermediate Similarity NPC167037
0.7125 Intermediate Similarity NPC138621
0.7125 Intermediate Similarity NPC477522
0.7125 Intermediate Similarity NPC6978
0.7125 Intermediate Similarity NPC474216
0.7123 Intermediate Similarity NPC308844
0.7123 Intermediate Similarity NPC300442
0.7108 Intermediate Similarity NPC110778
0.7108 Intermediate Similarity NPC477818
0.7108 Intermediate Similarity NPC113978
0.7105 Intermediate Similarity NPC49422
0.7105 Intermediate Similarity NPC254845
0.7105 Intermediate Similarity NPC9161
0.7101 Intermediate Similarity NPC119425
0.7093 Intermediate Similarity NPC474668
0.7093 Intermediate Similarity NPC2158
0.7089 Intermediate Similarity NPC300324
0.7089 Intermediate Similarity NPC240604
0.7089 Intermediate Similarity NPC293223
0.7089 Intermediate Similarity NPC113733
0.7083 Intermediate Similarity NPC474480
0.7079 Intermediate Similarity NPC477131
0.7079 Intermediate Similarity NPC198853
0.7077 Intermediate Similarity NPC329773
0.7073 Intermediate Similarity NPC47761
0.7073 Intermediate Similarity NPC264245
0.7067 Intermediate Similarity NPC470040
0.7067 Intermediate Similarity NPC208999
0.7067 Intermediate Similarity NPC160209
0.7059 Intermediate Similarity NPC299068
0.7059 Intermediate Similarity NPC6605
0.7059 Intermediate Similarity NPC281590
0.7059 Intermediate Similarity NPC94462
0.7059 Intermediate Similarity NPC261266
0.7059 Intermediate Similarity NPC24277
0.7051 Intermediate Similarity NPC471797
0.7051 Intermediate Similarity NPC471525

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470041 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
0.7821 Intermediate Similarity NPD6931 Approved
0.7821 Intermediate Similarity NPD6930 Phase 2
0.7733 Intermediate Similarity NPD6924 Approved
0.7733 Intermediate Similarity NPD6926 Approved
0.7692 Intermediate Similarity NPD6929 Approved
0.7662 Intermediate Similarity NPD6932 Approved
0.7654 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD7509 Discontinued
0.7595 Intermediate Similarity NPD7332 Phase 2
0.7532 Intermediate Similarity NPD6933 Approved
0.7531 Intermediate Similarity NPD6695 Phase 3
0.75 Intermediate Similarity NPD6898 Phase 1
0.7468 Intermediate Similarity NPD6683 Phase 2
0.7436 Intermediate Similarity NPD6925 Approved
0.7436 Intermediate Similarity NPD5776 Phase 2
0.7375 Intermediate Similarity NPD7514 Phase 3
0.7349 Intermediate Similarity NPD6893 Approved
0.7342 Intermediate Similarity NPD7145 Approved
0.72 Intermediate Similarity NPD6922 Approved
0.72 Intermediate Similarity NPD6923 Approved
0.7179 Intermediate Similarity NPD7339 Approved
0.7179 Intermediate Similarity NPD6942 Approved
0.7176 Intermediate Similarity NPD7524 Approved
0.7176 Intermediate Similarity NPD7750 Discontinued
0.716 Intermediate Similarity NPD7525 Registered
0.7125 Intermediate Similarity NPD7322 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD7143 Approved
0.7105 Intermediate Similarity NPD7144 Approved
0.7073 Intermediate Similarity NPD6902 Approved
0.7013 Intermediate Similarity NPD7150 Approved
0.7013 Intermediate Similarity NPD7152 Approved
0.7013 Intermediate Similarity NPD7151 Approved
0.6951 Remote Similarity NPD4821 Approved
0.6951 Remote Similarity NPD4820 Approved
0.6951 Remote Similarity NPD4822 Approved
0.6951 Remote Similarity NPD4819 Approved
0.6944 Remote Similarity NPD368 Approved
0.6875 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6854 Remote Similarity NPD7087 Discontinued
0.6782 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6707 Remote Similarity NPD4268 Approved
0.6707 Remote Similarity NPD4271 Approved
0.6706 Remote Similarity NPD5362 Discontinued
0.6629 Remote Similarity NPD1695 Approved
0.6628 Remote Similarity NPD4786 Approved
0.6625 Remote Similarity NPD4784 Approved
0.6625 Remote Similarity NPD4785 Approved
0.6582 Remote Similarity NPD4243 Approved
0.6556 Remote Similarity NPD7136 Phase 2
0.6548 Remote Similarity NPD5368 Approved
0.6548 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6512 Remote Similarity NPD7154 Phase 3
0.6512 Remote Similarity NPD5332 Approved
0.6512 Remote Similarity NPD5331 Approved
0.6471 Remote Similarity NPD4790 Discontinued
0.6471 Remote Similarity NPD5369 Approved
0.6429 Remote Similarity NPD7645 Phase 2
0.6404 Remote Similarity NPD4251 Approved
0.6404 Remote Similarity NPD4250 Approved
0.6395 Remote Similarity NPD6435 Approved
0.6395 Remote Similarity NPD3667 Approved
0.6364 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6353 Remote Similarity NPD4748 Discontinued
0.6344 Remote Similarity NPD5282 Discontinued
0.6341 Remote Similarity NPD8264 Approved
0.6338 Remote Similarity NPD342 Phase 1
0.631 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7637 Suspended
0.63 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4732 Discontinued
0.6292 Remote Similarity NPD4249 Approved
0.6275 Remote Similarity NPD6371 Approved
0.6207 Remote Similarity NPD4269 Approved
0.6207 Remote Similarity NPD4270 Approved
0.6196 Remote Similarity NPD7838 Discovery
0.6145 Remote Similarity NPD5275 Approved
0.6145 Remote Similarity NPD4190 Phase 3
0.6111 Remote Similarity NPD5279 Phase 3
0.6105 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5328 Approved
0.6087 Remote Similarity NPD4753 Phase 2
0.6067 Remote Similarity NPD3133 Approved
0.6067 Remote Similarity NPD3665 Phase 1
0.6067 Remote Similarity NPD3666 Approved
0.6064 Remote Similarity NPD4202 Approved
0.6064 Remote Similarity NPD5778 Approved
0.6064 Remote Similarity NPD5779 Approved
0.6064 Remote Similarity NPD6399 Phase 3
0.6047 Remote Similarity NPD4195 Approved
0.6022 Remote Similarity NPD3168 Discontinued
0.6022 Remote Similarity NPD46 Approved
0.6022 Remote Similarity NPD6698 Approved
0.6 Remote Similarity NPD5363 Approved
0.6 Remote Similarity NPD6053 Discontinued
0.5979 Remote Similarity NPD4755 Approved
0.5977 Remote Similarity NPD4252 Approved
0.596 Remote Similarity NPD5344 Discontinued
0.5957 Remote Similarity NPD6079 Approved
0.5957 Remote Similarity NPD7983 Approved
0.5949 Remote Similarity NPD7331 Phase 2
0.5934 Remote Similarity NPD3618 Phase 1
0.5934 Remote Similarity NPD5786 Approved
0.5914 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5914 Remote Similarity NPD6101 Approved
0.5882 Remote Similarity NPD6640 Phase 3
0.5859 Remote Similarity NPD5285 Approved
0.5859 Remote Similarity NPD5286 Approved
0.5859 Remote Similarity NPD4696 Approved
0.5859 Remote Similarity NPD4700 Approved
0.5843 Remote Similarity NPD4223 Phase 3
0.5843 Remote Similarity NPD4221 Approved
0.5824 Remote Similarity NPD5329 Approved
0.5823 Remote Similarity NPD7341 Phase 2
0.5816 Remote Similarity NPD6084 Phase 2
0.5816 Remote Similarity NPD6083 Phase 2
0.5789 Remote Similarity NPD6411 Approved
0.5778 Remote Similarity NPD4788 Approved
0.5773 Remote Similarity NPD5210 Approved
0.5773 Remote Similarity NPD4629 Approved
0.5758 Remote Similarity NPD7638 Approved
0.5743 Remote Similarity NPD4633 Approved
0.5743 Remote Similarity NPD5224 Approved
0.5743 Remote Similarity NPD5226 Approved
0.5743 Remote Similarity NPD5211 Phase 2
0.5743 Remote Similarity NPD5225 Approved
0.5735 Remote Similarity NPD4265 Approved
0.5728 Remote Similarity NPD6675 Approved
0.5728 Remote Similarity NPD5739 Approved
0.5728 Remote Similarity NPD7128 Approved
0.5728 Remote Similarity NPD6402 Approved
0.5714 Remote Similarity NPD3668 Phase 3
0.5714 Remote Similarity NPD4197 Approved
0.57 Remote Similarity NPD6648 Approved
0.57 Remote Similarity NPD7640 Approved
0.57 Remote Similarity NPD7639 Approved
0.5698 Remote Similarity NPD1346 Approved
0.5686 Remote Similarity NPD5174 Approved
0.5686 Remote Similarity NPD5765 Approved
0.5686 Remote Similarity NPD5175 Approved
0.5684 Remote Similarity NPD5785 Approved
0.5673 Remote Similarity NPD6412 Phase 2
0.5673 Remote Similarity NPD6685 Approved
0.566 Remote Similarity NPD4634 Approved
0.5652 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5644 Remote Similarity NPD5223 Approved
0.5638 Remote Similarity NPD4518 Approved
0.5631 Remote Similarity NPD5141 Approved
0.5625 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5619 Remote Similarity NPD7320 Approved
0.5619 Remote Similarity NPD6899 Approved
0.5619 Remote Similarity NPD6881 Approved
0.5612 Remote Similarity NPD5695 Phase 3
0.56 Remote Similarity NPD8029 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   53324659
ChEMBL   CHEMBL1652223
ZINC  

Physicochemical Properties

Molecular Weight:  322.25
ALogP:  1.4594
MLogP:  3.33
XLogP:  3.499
# Rotatable Bonds:  12
Polar Surface Area:  60.69
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  23

Download Data

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