Natural Product: NPC477027

Natural Product ID:  NPC477027
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H60O12
Standard InCHIKey:  SKHJNNFXCKTDBG-FGAAWICOSA-N
Standard InCHI:  InChI=1S/C38H60O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,17-19,21-35,39-44H,7-16H2,1-5H3/t17-,18-,19-,21+,22+,23-,24-,25-,26?,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+/m0/s1
Canonical SMILES:  O[C@H]1C[C@@H](O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC3[C@@H]2[C@H](C)[C@]2(O3)CC[C@@H](CO2)C)C)C1)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
NPO8452 Dracaena angustifolia Species Asparagaceae Eukaryota stems Xishuangbanna, Yunnan, China 2005-JUL PMID[20718450]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans IC50 = 20 ug/ml 20718450

  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 NPC477027 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
1.0 High Similarity NPC306131
1.0 High Similarity NPC70204
1.0 High Similarity NPC477026
1.0 High Similarity NPC475670
0.99 High Similarity NPC476539
0.99 High Similarity NPC476540
0.99 High Similarity NPC476538
0.99 High Similarity NPC476541
0.9804 High Similarity NPC475247
0.9804 High Similarity NPC294129
0.98 High Similarity NPC230507
0.98 High Similarity NPC161676
0.98 High Similarity NPC470432
0.98 High Similarity NPC305423
0.98 High Similarity NPC283829
0.98 High Similarity NPC113044
0.98 High Similarity NPC14704
0.9709 High Similarity NPC112274
0.9703 High Similarity NPC98696
0.97 High Similarity NPC473923
0.97 High Similarity NPC181845
0.97 High Similarity NPC473476
0.9615 High Similarity NPC51154
0.9612 High Similarity NPC197231
0.9612 High Similarity NPC13190
0.9608 High Similarity NPC95051
0.9608 High Similarity NPC300557
0.9608 High Similarity NPC46190
0.9608 High Similarity NPC244086
0.9608 High Similarity NPC6806
0.9608 High Similarity NPC73243
0.9608 High Similarity NPC194207
0.9608 High Similarity NPC40440
0.9608 High Similarity NPC218571
0.9608 High Similarity NPC248746
0.9608 High Similarity NPC249265
0.9608 High Similarity NPC84956
0.9608 High Similarity NPC150372
0.9608 High Similarity NPC477809
0.9608 High Similarity NPC309278
0.9608 High Similarity NPC470433
0.9608 High Similarity NPC475333
0.9608 High Similarity NPC232054
0.9608 High Similarity NPC208383
0.9608 High Similarity NPC22779
0.9608 High Similarity NPC42482
0.9608 High Similarity NPC171073
0.9608 High Similarity NPC102016
0.9608 High Similarity NPC475550
0.9608 High Similarity NPC224098
0.9604 High Similarity NPC226642
0.9524 High Similarity NPC11548
0.9519 High Similarity NPC19888
0.9515 High Similarity NPC269297
0.9515 High Similarity NPC224314
0.9515 High Similarity NPC87998
0.9515 High Similarity NPC247037
0.9515 High Similarity NPC141433
0.9515 High Similarity NPC222202
0.9515 High Similarity NPC23808
0.9515 High Similarity NPC477811
0.9505 High Similarity NPC242748
0.9434 High Similarity NPC477030
0.9434 High Similarity NPC63609
0.9434 High Similarity NPC477029
0.9423 High Similarity NPC124677
0.9423 High Similarity NPC476547
0.9423 High Similarity NPC13193
0.9423 High Similarity NPC477028
0.9423 High Similarity NPC477032
0.9412 High Similarity NPC94272
0.9412 High Similarity NPC473469
0.9346 High Similarity NPC477807
0.934 High Similarity NPC477810
0.9333 High Similarity NPC31896
0.9333 High Similarity NPC263359
0.9333 High Similarity NPC32361
0.9333 High Similarity NPC254255
0.9333 High Similarity NPC42171
0.9333 High Similarity NPC210569
0.9333 High Similarity NPC244431
0.9314 High Similarity NPC309448
0.9314 High Similarity NPC474569
0.9259 High Similarity NPC475403
0.9259 High Similarity NPC160888
0.9252 High Similarity NPC148965
0.9245 High Similarity NPC476693
0.9245 High Similarity NPC79900
0.9231 High Similarity NPC476835
0.9223 High Similarity NPC190395
0.9216 High Similarity NPC470885
0.9216 High Similarity NPC187400
0.9216 High Similarity NPC221562
0.9208 High Similarity NPC272015
0.9174 High Similarity NPC195560
0.9174 High Similarity NPC473633
0.9174 High Similarity NPC229962
0.9174 High Similarity NPC476085
0.9159 High Similarity NPC32707
0.9159 High Similarity NPC477808
0.9159 High Similarity NPC167183
0.9151 High Similarity NPC308140
0.9135 High Similarity NPC220427
0.9135 High Similarity NPC7213
0.9135 High Similarity NPC295980
0.9126 High Similarity NPC26798
0.9091 High Similarity NPC50689
0.9091 High Similarity NPC198325
0.9091 High Similarity NPC207243
0.9091 High Similarity NPC233391
0.9083 High Similarity NPC475357
0.9074 High Similarity NPC477031
0.9065 High Similarity NPC476546
0.9065 High Similarity NPC144068
0.9057 High Similarity NPC114188
0.9057 High Similarity NPC470748
0.9048 High Similarity NPC157530
0.9048 High Similarity NPC250089
0.9048 High Similarity NPC302057
0.9048 High Similarity NPC14630
0.9029 High Similarity NPC475365
0.902 High Similarity NPC288694
0.902 High Similarity NPC312553
0.902 High Similarity NPC159036
0.901 High Similarity NPC282669
0.9 High Similarity NPC473890
0.9 High Similarity NPC243728
0.9 High Similarity NPC177818
0.8981 High Similarity NPC208832
0.8942 High Similarity NPC269627
0.8942 High Similarity NPC208477
0.8942 High Similarity NPC474015
0.8942 High Similarity NPC152584
0.8942 High Similarity NPC160816
0.8942 High Similarity NPC127801
0.8942 High Similarity NPC69737
0.8942 High Similarity NPC208594
0.8942 High Similarity NPC194842
0.8932 High Similarity NPC475701
0.8932 High Similarity NPC31907
0.8932 High Similarity NPC472252
0.8932 High Similarity NPC157659
0.8932 High Similarity NPC286969
0.8932 High Similarity NPC245280
0.8932 High Similarity NPC473020
0.8932 High Similarity NPC189852
0.8932 High Similarity NPC114874
0.8932 High Similarity NPC213190
0.8932 High Similarity NPC16520
0.8932 High Similarity NPC211879
0.8932 High Similarity NPC155010
0.8932 High Similarity NPC8039
0.8932 High Similarity NPC131479
0.8932 High Similarity NPC16573
0.8932 High Similarity NPC120123
0.8929 High Similarity NPC43842
0.8911 High Similarity NPC158088
0.8909 High Similarity NPC476692
0.8909 High Similarity NPC476691
0.8889 High Similarity NPC307642
0.8889 High Similarity NPC476671
0.8889 High Similarity NPC469348
0.8889 High Similarity NPC469347
0.8857 High Similarity NPC63368
0.8857 High Similarity NPC181467
0.8857 High Similarity NPC208650
0.8857 High Similarity NPC14946
0.885 High Similarity NPC202261
0.885 High Similarity NPC295133
0.885 High Similarity NPC257207
0.885 High Similarity NPC106589
0.8846 High Similarity NPC165033
0.8846 High Similarity NPC93352
0.8846 High Similarity NPC75608
0.8846 High Similarity NPC273879
0.8846 High Similarity NPC475521
0.8846 High Similarity NPC474464
0.8835 High Similarity NPC136816
0.8829 High Similarity NPC161738
0.8824 High Similarity NPC7341
0.8824 High Similarity NPC473200
0.8818 High Similarity NPC476690
0.8818 High Similarity NPC100048
0.8818 High Similarity NPC20979
0.8812 High Similarity NPC76486
0.8785 High Similarity NPC191439
0.8785 High Similarity NPC103627
0.8785 High Similarity NPC170974
0.8774 High Similarity NPC159005
0.8774 High Similarity NPC180183
0.8774 High Similarity NPC246124
0.8774 High Similarity NPC128123
0.8774 High Similarity NPC6931
0.875 High Similarity NPC475358
0.875 High Similarity NPC473566
0.875 High Similarity NPC473198
0.8739 High Similarity NPC10366
0.8738 High Similarity NPC267510
0.8738 High Similarity NPC470434
0.8738 High Similarity NPC263756

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477027 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
0.8509 High Similarity NPD8378 Approved
0.8509 High Similarity NPD8380 Approved
0.8509 High Similarity NPD8296 Approved
0.8509 High Similarity NPD8379 Approved
0.8509 High Similarity NPD8335 Approved
0.8421 Intermediate Similarity NPD8294 Approved
0.8421 Intermediate Similarity NPD8377 Approved
0.8348 Intermediate Similarity NPD8033 Approved
0.8235 Intermediate Similarity NPD8171 Discontinued
0.8087 Intermediate Similarity NPD7328 Approved
0.8087 Intermediate Similarity NPD7327 Approved
0.8017 Intermediate Similarity NPD7516 Approved
0.8 Intermediate Similarity NPD6412 Phase 2
0.7967 Intermediate Similarity NPD8449 Approved
0.7903 Intermediate Similarity NPD8450 Suspended
0.7731 Intermediate Similarity NPD7503 Approved
0.7586 Intermediate Similarity NPD8133 Approved
0.75 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD7507 Approved
0.744 Intermediate Similarity NPD7319 Approved
0.7391 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD6370 Approved
0.736 Intermediate Similarity NPD7736 Approved
0.728 Intermediate Similarity NPD8293 Discontinued
0.725 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD6059 Approved
0.7213 Intermediate Similarity NPD6054 Approved
0.7177 Intermediate Similarity NPD8328 Phase 3
0.7075 Intermediate Similarity NPD7524 Approved
0.7059 Intermediate Similarity NPD6928 Phase 2
0.704 Intermediate Similarity NPD6067 Discontinued
0.7016 Intermediate Similarity NPD6016 Approved
0.7016 Intermediate Similarity NPD6015 Approved
0.7009 Intermediate Similarity NPD6686 Approved
0.7 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.6984 Remote Similarity NPD7492 Approved
0.696 Remote Similarity NPD5988 Approved
0.6952 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6929 Remote Similarity NPD6616 Approved
0.69 Remote Similarity NPD6942 Approved
0.69 Remote Similarity NPD7339 Approved
0.6893 Remote Similarity NPD7525 Registered
0.688 Remote Similarity NPD8516 Approved
0.688 Remote Similarity NPD8515 Approved
0.688 Remote Similarity NPD8517 Approved
0.688 Remote Similarity NPD8513 Phase 3
0.6875 Remote Similarity NPD7078 Approved
0.6857 Remote Similarity NPD6695 Phase 3
0.6796 Remote Similarity NPD7645 Phase 2
0.6777 Remote Similarity NPD6882 Approved
0.6777 Remote Similarity NPD8297 Approved
0.6759 Remote Similarity NPD7750 Discontinued
0.6759 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6694 Remote Similarity NPD6009 Approved
0.6692 Remote Similarity NPD6033 Approved
0.6667 Remote Similarity NPD6319 Approved
0.6635 Remote Similarity NPD6929 Approved
0.6609 Remote Similarity NPD7638 Approved
0.6607 Remote Similarity NPD6399 Phase 3
0.6596 Remote Similarity NPD7625 Phase 1
0.6585 Remote Similarity NPD4632 Approved
0.6583 Remote Similarity NPD7320 Approved
0.6571 Remote Similarity NPD6930 Phase 2
0.6571 Remote Similarity NPD6931 Approved
0.6557 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6008 Approved
0.6555 Remote Similarity NPD6402 Approved
0.6555 Remote Similarity NPD5739 Approved
0.6555 Remote Similarity NPD6675 Approved
0.6555 Remote Similarity NPD7128 Approved
0.6552 Remote Similarity NPD7639 Approved
0.6552 Remote Similarity NPD7640 Approved
0.6529 Remote Similarity NPD6373 Approved
0.6529 Remote Similarity NPD6372 Approved
0.6505 Remote Similarity NPD6933 Approved
0.6481 Remote Similarity NPD4786 Approved
0.6471 Remote Similarity NPD4785 Approved
0.6471 Remote Similarity NPD4784 Approved
0.6446 Remote Similarity NPD6881 Approved
0.6446 Remote Similarity NPD6899 Approved
0.6442 Remote Similarity NPD6925 Approved
0.6442 Remote Similarity NPD5776 Phase 2
0.6442 Remote Similarity NPD6932 Approved
0.6436 Remote Similarity NPD4243 Approved
0.6423 Remote Similarity NPD8130 Phase 1
0.6423 Remote Similarity NPD6650 Approved
0.6423 Remote Similarity NPD6649 Approved
0.6381 Remote Similarity NPD7145 Approved
0.6379 Remote Similarity NPD4755 Approved
0.6379 Remote Similarity NPD6083 Phase 2
0.6379 Remote Similarity NPD6084 Phase 2
0.6372 Remote Similarity NPD7087 Discontinued
0.6364 Remote Similarity NPD5697 Approved
0.6364 Remote Similarity NPD5701 Approved
0.6356 Remote Similarity NPD4159 Approved
0.6348 Remote Similarity NPD7991 Discontinued
0.6343 Remote Similarity NPD5956 Approved
0.6341 Remote Similarity NPD7290 Approved
0.6341 Remote Similarity NPD7102 Approved
0.6341 Remote Similarity NPD6883 Approved
0.6341 Remote Similarity NPD4634 Approved
0.6321 Remote Similarity NPD6683 Phase 2
0.6316 Remote Similarity NPD4202 Approved
0.6311 Remote Similarity NPD6926 Approved
0.6311 Remote Similarity NPD6924 Approved
0.6299 Remote Similarity NPD7115 Discovery
0.6296 Remote Similarity NPD3667 Approved
0.629 Remote Similarity NPD6847 Approved
0.629 Remote Similarity NPD6869 Approved
0.629 Remote Similarity NPD6617 Approved
0.6273 Remote Similarity NPD6893 Approved
0.6271 Remote Similarity NPD5285 Approved
0.6271 Remote Similarity NPD5286 Approved
0.6271 Remote Similarity NPD4700 Approved
0.6271 Remote Similarity NPD4696 Approved
0.6262 Remote Similarity NPD7514 Phase 3
0.6262 Remote Similarity NPD4748 Discontinued
0.6261 Remote Similarity NPD7748 Approved
0.626 Remote Similarity NPD6012 Approved
0.626 Remote Similarity NPD6014 Approved
0.626 Remote Similarity NPD7604 Phase 2
0.626 Remote Similarity NPD6013 Approved
0.6239 Remote Similarity NPD7902 Approved
0.6231 Remote Similarity NPD5983 Phase 2
0.6228 Remote Similarity NPD8035 Phase 2
0.6228 Remote Similarity NPD8034 Phase 2
0.6228 Remote Similarity NPD7637 Suspended
0.6204 Remote Similarity NPD6902 Approved
0.6195 Remote Similarity NPD4753 Phase 2
0.6195 Remote Similarity NPD6051 Approved
0.6195 Remote Similarity NPD5328 Approved
0.6186 Remote Similarity NPD4225 Approved
0.6182 Remote Similarity NPD3666 Approved
0.6182 Remote Similarity NPD3133 Approved
0.6182 Remote Similarity NPD3665 Phase 1
0.6179 Remote Similarity NPD6011 Approved
0.6167 Remote Similarity NPD5211 Phase 2
0.6167 Remote Similarity NPD5226 Approved
0.6167 Remote Similarity NPD4633 Approved
0.6167 Remote Similarity NPD5225 Approved
0.6167 Remote Similarity NPD5224 Approved
0.6165 Remote Similarity NPD6336 Discontinued
0.616 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6148 Remote Similarity NPD4767 Approved
0.6148 Remote Similarity NPD4768 Approved
0.614 Remote Similarity NPD3168 Discontinued
0.6129 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6117 Remote Similarity NPD7152 Approved
0.6117 Remote Similarity NPD7151 Approved
0.6117 Remote Similarity NPD7150 Approved
0.6116 Remote Similarity NPD5174 Approved
0.6116 Remote Similarity NPD5175 Approved
0.6111 Remote Similarity NPD7332 Phase 2
0.6111 Remote Similarity NPD6053 Discontinued
0.6106 Remote Similarity NPD6903 Approved
0.6106 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6095 Remote Similarity NPD5275 Approved
0.6095 Remote Similarity NPD4190 Phase 3
0.6087 Remote Similarity NPD6079 Approved
0.6087 Remote Similarity NPD7515 Phase 2
0.6083 Remote Similarity NPD5223 Approved
0.6078 Remote Similarity NPD6923 Approved
0.6078 Remote Similarity NPD6922 Approved
0.6074 Remote Similarity NPD8336 Approved
0.6074 Remote Similarity NPD8337 Approved
0.6071 Remote Similarity NPD6684 Approved
0.6071 Remote Similarity NPD3618 Phase 1
0.6071 Remote Similarity NPD7521 Approved
0.6071 Remote Similarity NPD5330 Approved
0.6071 Remote Similarity NPD6409 Approved
0.6071 Remote Similarity NPD7146 Approved
0.6071 Remote Similarity NPD7334 Approved
0.6068 Remote Similarity NPD5695 Phase 3
0.6068 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6066 Remote Similarity NPD5141 Approved
0.6055 Remote Similarity NPD6898 Phase 1
0.605 Remote Similarity NPD5696 Approved
0.6048 Remote Similarity NPD4729 Approved
0.6048 Remote Similarity NPD4730 Approved
0.6033 Remote Similarity NPD7632 Discontinued
0.6019 Remote Similarity NPD4195 Approved
0.6019 Remote Similarity NPD7143 Approved
0.6019 Remote Similarity NPD7144 Approved
0.6 Remote Similarity NPD1811 Approved
0.6 Remote Similarity NPD1810 Approved
0.6 Remote Similarity NPD8074 Phase 3
0.5984 Remote Similarity NPD4754 Approved
0.5983 Remote Similarity NPD7900 Approved
0.5983 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5982 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5969 Remote Similarity NPD6274 Approved
0.5963 Remote Similarity NPD7509 Discontinued
0.5954 Remote Similarity NPD7101 Approved
0.5954 Remote Similarity NPD7100 Approved
0.5952 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5952 Remote Similarity NPD5248 Approved
0.5952 Remote Similarity NPD5249 Phase 3
0.5952 Remote Similarity NPD5247 Approved
0.5952 Remote Similarity NPD5250 Approved
0.5952 Remote Similarity NPD5251 Approved

Structure

External Identifiers

PubChem CID   49866279
ChEMBL   CHEMBL1224737
ZINC  

Physicochemical Properties

Molecular Weight:  708.41
ALogP:  -2.7791
MLogP:  4.32
XLogP:  2.679
# Rotatable Bonds:  15
Polar Surface Area:  176.76
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  8
# Heavy Atoms:  50

Download Data

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