Natural Product: NPC306085

Natural Product ID:  NPC306085
Common Name:   (S)-2-[(2R,5R,2's,5'r,2''s,5''s)-5''-((R)-1-Hydroxy-1,5-Dimethyl-Hex-4-Enyl)-2,2''-Dimethyl-Dodecahydro-[2,2';5',2'']Terfuran-5-Yl]-6-Methyl-Hept-5-En-2-Ol
IUPAC Name:   (2S)-2-[(2R,5R)-5-[(2S,5R)-5-[(2S,5S)-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
Synonyms:  
Molecular Formula:   C30H52O5
Standard InCHIKey:  LICDBSWLYVFNPL-DSIUGFRJSA-N
Standard InCHI:  InChI=1S/C30H52O5/c1-21(2)11-9-17-27(5,31)23-15-19-29(7,34-23)25-13-14-26(33-25)30(8)20-16-24(35-30)28(6,32)18-10-12-22(3)4/h11-12,23-26,31-32H,9-10,13-20H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+
Canonical SMILES:  CC(=CCC[C@]([C@@H]1CC[C@@](O1)(C)[C@H]1CC[C@H](O1)[C@@]1(C)CC[C@@H](O1)[C@](CCC=C(C)C)(O)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
NPO9644 Euphorbia resinifera Species Euphorbiaceae Eukaryota UNPD*
NPO1221 Juniperus serawschanica Species Cupressaceae Eukaryota UNPD*
NPO13798 Cheilanthes marantae Species Pteridaceae Eukaryota UNPD*
NPO12026 Papaver radicatum Species Papaveraceae Eukaryota UNPD*
NPO22888 Lophiostoma vaginatispora Species Lophiostomataceae Eukaryota UNPD*
NPO10341 Pseudogymnoascus pannorum Species Pseudeurotiaceae Eukaryota UNPD*
NPO15600 Trifolium pannonicum Species Fabaceae Eukaryota UNPD*
NPO2505 Pachycereus pringlei Species Cactaceae Eukaryota UNPD*
NPO6626 Pteris spinulosa Species Pteridaceae Eukaryota UNPD*
NPO666 Cymbidium aloifolium Species Orchidaceae Eukaryota UNPD*
NPO8640 Nemuaron humboldtii Species Atherospermataceae Eukaryota UNPD*
NPO11530 Heterosigma akashiwo Species Chattonellaceae Eukaryota UNPD*
NPO2084 Acinetobacter calcoaceticus Species Moraxellaceae Bacteria UNPD*
NPO31211 Eurycoma sp Species Simaroubaceae Eukaryota HerDing*
NPO8820 Lophocereus marginatus Species Cactaceae Eukaryota UNPD*
NPO1054 Peucedanum graveolens Species Apiaceae Eukaryota UNPD*
NPO3576 Bersama swinnyi Species Melianthaceae Eukaryota UNPD*
NPO20318 Acinetobacter baumannii Species Moraxellaceae Bacteria UNPD*
NPO13604 Dermocybe cardinalis Species Cortinariaceae Eukaryota UNPD*
NPO2491 Laurencia obtusa Species Rhodomelaceae Eukaryota UNPD*
NPO12988 Blainvillea latifolia Species Asteraceae Eukaryota UNPD*
NPO13692 Leontice kiangnanensis Species Berberidaceae Eukaryota UNPD*
NPO2329 Scutellaria glabra Species Lamiaceae Eukaryota UNPD*
NPO9024 Aralidium pinnatifidum Species Torricelliaceae Eukaryota UNPD*
NPO9965 Eurycoma longifolia Species Simaroubaceae Eukaryota UNPD*
NPO20383 Stenocereus thurberi Species Cactaceae Eukaryota UNPD*
NPO18938 Ladeania juncea Species Fabaceae Eukaryota UNPD*
NPO13493 Mauremys reevesii Species Geoemydidae Eukaryota UNPD*
NPO12577 Pinus glauca Species Pinaceae Eukaryota UNPD*
NPO1418 Boletinus paluster Species Gyrodontaceae Eukaryota UNPD*
NPO5401 Monanchora unguiculata Species Crambeidae Eukaryota UNPD*
NPO9375 Medium grandiflorum NA NA NA UNPD*
NPO3924 Penicillium alutaceum Species Aspergillaceae Eukaryota UNPD*
NPO11072 Geigeria schinzii Species Asteraceae Eukaryota UNPD*
NPO14280 Helichrysum angustifolium Species Asteraceae Eukaryota UNPD*
NPO6014 Goniothalamus undulatus Species Annonaceae Eukaryota UNPD*
NPO14602 Vitex negundo Species Lamiaceae Eukaryota UNPD*
NPO893 Helichrysum sutherlandii Species Asteraceae Eukaryota UNPD*
NPO12890 Ophryosporus charua Species Asteraceae Eukaryota UNPD*
NPO20997 Eurycoma sp. Species Simaroubaceae Eukaryota TCMID*
NPO5527 Ligularia atroviolacea Species Asteraceae Eukaryota UNPD*
NPO8821 Delphinium dictyocarpum Species Ranunculaceae Eukaryota UNPD*
NPO13494 Prosopis kuntzei Species Fabaceae Eukaryota UNPD*
NPO8220 Russula sardonia Species Russulaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT27 Others Unspecified IC50 = 7 ug/ml 9873476

  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 NPC306085 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
0.9403 High Similarity NPC16964
0.8904 High Similarity NPC181838
0.8904 High Similarity NPC137345
0.8649 High Similarity NPC3852
0.8289 Intermediate Similarity NPC476701
0.8219 Intermediate Similarity NPC476709
0.8056 Intermediate Similarity NPC472947
0.8026 Intermediate Similarity NPC476703
0.8 Intermediate Similarity NPC12696
0.7746 Intermediate Similarity NPC250836
0.7722 Intermediate Similarity NPC472948
0.7619 Intermediate Similarity NPC476708
0.7534 Intermediate Similarity NPC259299
0.7532 Intermediate Similarity NPC36479
0.75 Intermediate Similarity NPC52012
0.7468 Intermediate Similarity NPC477089
0.7467 Intermediate Similarity NPC129630
0.7463 Intermediate Similarity NPC281590
0.7436 Intermediate Similarity NPC236228
0.7436 Intermediate Similarity NPC256720
0.7436 Intermediate Similarity NPC293223
0.7432 Intermediate Similarity NPC305698
0.7297 Intermediate Similarity NPC473357
0.7297 Intermediate Similarity NPC193029
0.7262 Intermediate Similarity NPC298595
0.726 Intermediate Similarity NPC471200
0.7241 Intermediate Similarity NPC478003
0.7241 Intermediate Similarity NPC478004
0.7241 Intermediate Similarity NPC158388
0.7215 Intermediate Similarity NPC170148
0.7215 Intermediate Similarity NPC329626
0.7209 Intermediate Similarity NPC309656
0.7179 Intermediate Similarity NPC471525
0.7179 Intermediate Similarity NPC190859
0.7176 Intermediate Similarity NPC247826
0.7159 Intermediate Similarity NPC12172
0.7159 Intermediate Similarity NPC208886
0.7143 Intermediate Similarity NPC152438
0.7143 Intermediate Similarity NPC41180
0.7126 Intermediate Similarity NPC307411
0.7126 Intermediate Similarity NPC473564
0.7125 Intermediate Similarity NPC40049
0.7125 Intermediate Similarity NPC477427
0.7125 Intermediate Similarity NPC477426
0.7125 Intermediate Similarity NPC474826
0.7125 Intermediate Similarity NPC477425
0.7123 Intermediate Similarity NPC476702
0.7105 Intermediate Similarity NPC74722
0.7105 Intermediate Similarity NPC304690
0.7083 Intermediate Similarity NPC64971
0.7079 Intermediate Similarity NPC81419
0.7079 Intermediate Similarity NPC179746
0.7073 Intermediate Similarity NPC100697
0.7067 Intermediate Similarity NPC82337
0.7067 Intermediate Similarity NPC73603
0.7059 Intermediate Similarity NPC475206
0.7059 Intermediate Similarity NPC290731
0.7045 Intermediate Similarity NPC474761
0.7045 Intermediate Similarity NPC476004
0.7045 Intermediate Similarity NPC51004
0.7037 Intermediate Similarity NPC13823
0.7037 Intermediate Similarity NPC68119
0.7024 Intermediate Similarity NPC471340
0.7024 Intermediate Similarity NPC231601
0.7013 Intermediate Similarity NPC470041
0.7011 Intermediate Similarity NPC476706
0.7011 Intermediate Similarity NPC476704
0.7011 Intermediate Similarity NPC476707
0.6988 Remote Similarity NPC5361
0.6988 Remote Similarity NPC118116
0.6974 Remote Similarity NPC272961
0.6966 Remote Similarity NPC184463
0.6966 Remote Similarity NPC208839
0.6966 Remote Similarity NPC472468
0.6966 Remote Similarity NPC30515
0.6962 Remote Similarity NPC160540
0.6957 Remote Similarity NPC223604
0.6944 Remote Similarity NPC469694
0.6932 Remote Similarity NPC133450
0.6914 Remote Similarity NPC84360
0.6905 Remote Similarity NPC477390
0.6905 Remote Similarity NPC477385
0.6905 Remote Similarity NPC472465
0.6905 Remote Similarity NPC103171
0.6897 Remote Similarity NPC476948
0.6897 Remote Similarity NPC248602
0.6897 Remote Similarity NPC179659
0.6897 Remote Similarity NPC189777
0.6889 Remote Similarity NPC476300
0.6889 Remote Similarity NPC98193
0.6883 Remote Similarity NPC329989
0.6883 Remote Similarity NPC239373
0.6883 Remote Similarity NPC144647
0.6882 Remote Similarity NPC309493
0.6875 Remote Similarity NPC93213
0.6867 Remote Similarity NPC103634
0.6867 Remote Similarity NPC76054
0.686 Remote Similarity NPC292809
0.686 Remote Similarity NPC319036
0.686 Remote Similarity NPC39279
0.686 Remote Similarity NPC470400
0.686 Remote Similarity NPC473671
0.686 Remote Similarity NPC235809
0.686 Remote Similarity NPC475268
0.686 Remote Similarity NPC77871
0.686 Remote Similarity NPC471494
0.686 Remote Similarity NPC25764
0.686 Remote Similarity NPC9678
0.686 Remote Similarity NPC39167
0.686 Remote Similarity NPC473156
0.686 Remote Similarity NPC202055
0.6854 Remote Similarity NPC472466
0.6854 Remote Similarity NPC177668
0.6854 Remote Similarity NPC470832
0.6849 Remote Similarity NPC475251
0.6842 Remote Similarity NPC472253
0.6842 Remote Similarity NPC472255
0.6842 Remote Similarity NPC163290
0.6835 Remote Similarity NPC477085
0.6835 Remote Similarity NPC143576
0.6824 Remote Similarity NPC11620
0.6824 Remote Similarity NPC239308
0.6818 Remote Similarity NPC58219
0.6818 Remote Similarity NPC231784
0.6818 Remote Similarity NPC202672
0.6818 Remote Similarity NPC177629
0.6813 Remote Similarity NPC472467
0.6806 Remote Similarity NPC122239
0.6806 Remote Similarity NPC278202
0.6795 Remote Similarity NPC471781
0.679 Remote Similarity NPC268111
0.6786 Remote Similarity NPC246621
0.6786 Remote Similarity NPC77003
0.6786 Remote Similarity NPC474894
0.6782 Remote Similarity NPC25703
0.6782 Remote Similarity NPC241360
0.6782 Remote Similarity NPC282815
0.6782 Remote Similarity NPC473840
0.6782 Remote Similarity NPC219652
0.6782 Remote Similarity NPC311163
0.6782 Remote Similarity NPC476217
0.6782 Remote Similarity NPC132940
0.6782 Remote Similarity NPC293136
0.6778 Remote Similarity NPC210268
0.6778 Remote Similarity NPC476705
0.6757 Remote Similarity NPC50435
0.6753 Remote Similarity NPC470040
0.675 Remote Similarity NPC138273
0.6747 Remote Similarity NPC233295
0.6747 Remote Similarity NPC86971
0.6744 Remote Similarity NPC186155
0.6744 Remote Similarity NPC475963
0.6744 Remote Similarity NPC160517
0.6744 Remote Similarity NPC151176
0.6744 Remote Similarity NPC3464
0.6744 Remote Similarity NPC474780
0.6744 Remote Similarity NPC78673
0.6742 Remote Similarity NPC249408
0.6742 Remote Similarity NPC115607
0.6742 Remote Similarity NPC92974
0.6742 Remote Similarity NPC473058
0.6742 Remote Similarity NPC104129
0.6742 Remote Similarity NPC97103
0.6739 Remote Similarity NPC36954
0.6714 Remote Similarity NPC227135
0.6711 Remote Similarity NPC272125
0.6711 Remote Similarity NPC267027
0.6711 Remote Similarity NPC311736
0.6709 Remote Similarity NPC477084
0.6709 Remote Similarity NPC41886
0.6709 Remote Similarity NPC477086
0.6709 Remote Similarity NPC477087
0.6707 Remote Similarity NPC471454
0.6706 Remote Similarity NPC20072
0.6705 Remote Similarity NPC473995
0.6705 Remote Similarity NPC20533
0.6705 Remote Similarity NPC473649
0.6705 Remote Similarity NPC159750
0.6705 Remote Similarity NPC476583
0.6705 Remote Similarity NPC186148
0.6705 Remote Similarity NPC154097
0.6705 Remote Similarity NPC470401
0.6705 Remote Similarity NPC258068
0.6703 Remote Similarity NPC475912
0.6703 Remote Similarity NPC61275
0.6703 Remote Similarity NPC212486
0.6702 Remote Similarity NPC187268
0.6702 Remote Similarity NPC475068
0.6702 Remote Similarity NPC216260
0.6702 Remote Similarity NPC5358
0.6667 Remote Similarity NPC329749
0.6667 Remote Similarity NPC304509
0.6667 Remote Similarity NPC140233
0.6667 Remote Similarity NPC200446
0.6667 Remote Similarity NPC137033
0.6667 Remote Similarity NPC470175
0.6667 Remote Similarity NPC309300
0.6667 Remote Similarity NPC149725
0.6667 Remote Similarity NPC196911
0.6667 Remote Similarity NPC47958

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC306085 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
0.6897 Remote Similarity NPD7524 Approved
0.6628 Remote Similarity NPD6695 Phase 3
0.6585 Remote Similarity NPD6933 Approved
0.6552 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6484 Remote Similarity NPD7838 Discovery
0.6341 Remote Similarity NPD6926 Approved
0.6341 Remote Similarity NPD6924 Approved
0.6333 Remote Similarity NPD7750 Discontinued
0.6304 Remote Similarity NPD6698 Approved
0.6304 Remote Similarity NPD46 Approved
0.6279 Remote Similarity NPD6931 Approved
0.6279 Remote Similarity NPD6930 Phase 2
0.6277 Remote Similarity NPD5282 Discontinued
0.6267 Remote Similarity NPD1145 Discontinued
0.6238 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6237 Remote Similarity NPD7983 Approved
0.6163 Remote Similarity NPD6929 Approved
0.6154 Remote Similarity NPD4250 Approved
0.6154 Remote Similarity NPD4251 Approved
0.6129 Remote Similarity NPD3168 Discontinued
0.6118 Remote Similarity NPD6932 Approved
0.6092 Remote Similarity NPD7525 Registered
0.6064 Remote Similarity NPD7087 Discontinued
0.6061 Remote Similarity NPD5344 Discontinued
0.6044 Remote Similarity NPD4249 Approved
0.5977 Remote Similarity NPD6683 Phase 2
0.5974 Remote Similarity NPD368 Approved
0.5949 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5934 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5934 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5934 Remote Similarity NPD6893 Approved
0.593 Remote Similarity NPD5776 Phase 2
0.593 Remote Similarity NPD6925 Approved
0.5909 Remote Similarity NPD7509 Discontinued
0.5909 Remote Similarity NPD7332 Phase 2
0.5909 Remote Similarity NPD7514 Phase 3
0.5889 Remote Similarity NPD7154 Phase 3
0.5889 Remote Similarity NPD5362 Discontinued
0.5889 Remote Similarity NPD6110 Phase 1
0.5882 Remote Similarity NPD6942 Approved
0.5882 Remote Similarity NPD7339 Approved
0.5875 Remote Similarity NPD7331 Phase 2
0.5862 Remote Similarity NPD7145 Approved
0.5859 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5854 Remote Similarity NPD6923 Approved
0.5854 Remote Similarity NPD6922 Approved
0.5849 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5843 Remote Similarity NPD5369 Approved
0.5843 Remote Similarity NPD6898 Phase 1
0.5843 Remote Similarity NPD4790 Discontinued
0.5814 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5811 Remote Similarity NPD342 Phase 1
0.58 Remote Similarity NPD6648 Approved
0.5795 Remote Similarity NPD7645 Phase 2
0.5783 Remote Similarity NPD7143 Approved
0.5783 Remote Similarity NPD7144 Approved
0.5778 Remote Similarity NPD6435 Approved
0.5769 Remote Similarity NPD6412 Phase 2
0.5755 Remote Similarity NPD6371 Approved
0.5733 Remote Similarity NPD2267 Suspended
0.573 Remote Similarity NPD4821 Approved
0.573 Remote Similarity NPD4822 Approved
0.573 Remote Similarity NPD4819 Approved
0.573 Remote Similarity NPD4820 Approved
0.573 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4243 Approved
0.5714 Remote Similarity NPD5331 Approved
0.5714 Remote Similarity NPD6686 Approved
0.5714 Remote Similarity NPD7152 Approved
0.5714 Remote Similarity NPD5332 Approved
0.5714 Remote Similarity NPD7151 Approved
0.5714 Remote Similarity NPD7150 Approved
0.57 Remote Similarity NPD4225 Approved
0.57 Remote Similarity NPD7638 Approved
0.5684 Remote Similarity NPD1695 Approved
0.5682 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5673 Remote Similarity NPD5357 Phase 1
0.567 Remote Similarity NPD5778 Approved
0.567 Remote Similarity NPD5781 Clinical (unspecified phase)
0.567 Remote Similarity NPD5779 Approved
0.5667 Remote Similarity NPD6902 Approved
0.5647 Remote Similarity NPD4732 Discontinued
0.5644 Remote Similarity NPD7639 Approved
0.5644 Remote Similarity NPD7640 Approved
0.5638 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5625 Remote Similarity NPD3197 Phase 1

Structure

External Identifiers

PubChem CID   185415
ChEMBL   CHEMBL64080
ZINC  

Physicochemical Properties

Molecular Weight:  492.38
ALogP:  2.5279
MLogP:  4.21
XLogP:  5.982
# Rotatable Bonds:  20
Polar Surface Area:  68.15
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  35

Download Data

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