Natural Product: NPC478259

Natural Product ID:  NPC478259
Common Name:   Frutescones I
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H44O3
Standard InCHIKey:  VBRJBFPGRNHVMG-LGPUIHHESA-N
Standard InCHI:  InChI=1S/C29H44O3/c1-16(2)20-11-10-18(5)21-12-13-29(15-23(20)21)14-22(17(3)4)24-25(30)19(6)26(31-9)28(7,8)27(24)32-29/h15-18,20-22H,10-14H2,1-9H3/t18-,20+,21-,22-,29-/m1/s1
Canonical SMILES:  COC1=C(C)C(=O)C2=C(C1(C)C)O[C@@]1(C[C@@H]2C(C)C)CC[C@H]2C(=C1)[C@@H](CC[C@H]2C)C(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
NPO11277 Baeckea frutescens Species Myrtaceae Eukaryota aerial parts Nanning, Guangxi Province, China 2014-OCT PMID[28753309]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 18.75 ± 3.84 µM 28753309

  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 NPC478259 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 NPC478261
1.0 High Similarity NPC478260
0.8444 Intermediate Similarity NPC253177
0.8444 Intermediate Similarity NPC280592
0.8444 Intermediate Similarity NPC213636
0.8352 Intermediate Similarity NPC296114
0.8352 Intermediate Similarity NPC471329
0.8295 Intermediate Similarity NPC478245
0.8242 Intermediate Similarity NPC223093
0.8202 Intermediate Similarity NPC220478
0.809 Intermediate Similarity NPC133652
0.8046 Intermediate Similarity NPC478262
0.8046 Intermediate Similarity NPC474085
0.7957 Intermediate Similarity NPC190442
0.7935 Intermediate Similarity NPC284561
0.7907 Intermediate Similarity NPC478246
0.7907 Intermediate Similarity NPC478247
0.79 Intermediate Similarity NPC478052
0.7889 Intermediate Similarity NPC137493
0.7872 Intermediate Similarity NPC229976
0.7857 Intermediate Similarity NPC472637
0.7857 Intermediate Similarity NPC310981
0.7849 Intermediate Similarity NPC478258
0.7849 Intermediate Similarity NPC478257
0.7826 Intermediate Similarity NPC143025
0.7826 Intermediate Similarity NPC472302
0.7802 Intermediate Similarity NPC470345
0.7766 Intermediate Similarity NPC472975
0.7723 Intermediate Similarity NPC60681
0.7717 Intermediate Similarity NPC471728
0.7717 Intermediate Similarity NPC477228
0.7708 Intermediate Similarity NPC127197
0.7701 Intermediate Similarity NPC469996
0.77 Intermediate Similarity NPC470954
0.7692 Intermediate Similarity NPC470048
0.7692 Intermediate Similarity NPC263997
0.7692 Intermediate Similarity NPC8518
0.7692 Intermediate Similarity NPC189311
0.7692 Intermediate Similarity NPC132228
0.7667 Intermediate Similarity NPC470046
0.7667 Intermediate Similarity NPC193198
0.7667 Intermediate Similarity NPC470047
0.766 Intermediate Similarity NPC113393
0.766 Intermediate Similarity NPC469595
0.766 Intermediate Similarity NPC220454
0.766 Intermediate Similarity NPC212679
0.766 Intermediate Similarity NPC476369
0.766 Intermediate Similarity NPC476437
0.7609 Intermediate Similarity NPC470051
0.7609 Intermediate Similarity NPC470050
0.7604 Intermediate Similarity NPC476415
0.76 Intermediate Similarity NPC185530
0.7596 Intermediate Similarity NPC37116
0.7596 Intermediate Similarity NPC473627
0.7586 Intermediate Similarity NPC472300
0.7582 Intermediate Similarity NPC476412
0.7573 Intermediate Similarity NPC177064
0.7558 Intermediate Similarity NPC65650
0.7553 Intermediate Similarity NPC173042
0.7553 Intermediate Similarity NPC280833
0.7551 Intermediate Similarity NPC84335
0.7551 Intermediate Similarity NPC38530
0.7551 Intermediate Similarity NPC151488
0.7528 Intermediate Similarity NPC108955
0.7528 Intermediate Similarity NPC2482
0.7527 Intermediate Similarity NPC38885
0.7527 Intermediate Similarity NPC30421
0.7526 Intermediate Similarity NPC472932
0.7526 Intermediate Similarity NPC316215
0.7525 Intermediate Similarity NPC26478
0.75 Intermediate Similarity NPC275494
0.75 Intermediate Similarity NPC241512
0.75 Intermediate Similarity NPC6185
0.75 Intermediate Similarity NPC474899
0.75 Intermediate Similarity NPC472930
0.75 Intermediate Similarity NPC471409
0.75 Intermediate Similarity NPC474912
0.75 Intermediate Similarity NPC476678
0.7476 Intermediate Similarity NPC91034
0.7475 Intermediate Similarity NPC176845
0.7474 Intermediate Similarity NPC152467
0.7474 Intermediate Similarity NPC469372
0.7474 Intermediate Similarity NPC273199
0.7474 Intermediate Similarity NPC159748
0.7474 Intermediate Similarity NPC212369
0.7474 Intermediate Similarity NPC101651
0.7474 Intermediate Similarity NPC38952
0.7473 Intermediate Similarity NPC288281
0.7473 Intermediate Similarity NPC22611
0.7473 Intermediate Similarity NPC53733
0.7453 Intermediate Similarity NPC221144
0.7451 Intermediate Similarity NPC476001
0.7451 Intermediate Similarity NPC474898
0.7449 Intermediate Similarity NPC472733
0.7449 Intermediate Similarity NPC472734
0.7447 Intermediate Similarity NPC24816
0.7447 Intermediate Similarity NPC307298
0.7444 Intermediate Similarity NPC55869
0.7429 Intermediate Similarity NPC29133
0.7426 Intermediate Similarity NPC475320
0.7423 Intermediate Similarity NPC470697
0.7423 Intermediate Similarity NPC38830
0.7419 Intermediate Similarity NPC472974
0.7416 Intermediate Similarity NPC476177
0.74 Intermediate Similarity NPC54705
0.74 Intermediate Similarity NPC476933
0.7396 Intermediate Similarity NPC478243
0.7396 Intermediate Similarity NPC472978
0.7396 Intermediate Similarity NPC303697
0.7396 Intermediate Similarity NPC218301
0.7396 Intermediate Similarity NPC478244
0.7391 Intermediate Similarity NPC30486
0.7391 Intermediate Similarity NPC312660
0.7374 Intermediate Similarity NPC170131
0.7374 Intermediate Similarity NPC472731
0.7374 Intermediate Similarity NPC472732
0.7374 Intermediate Similarity NPC76266
0.7368 Intermediate Similarity NPC5509
0.7368 Intermediate Similarity NPC472973
0.7363 Intermediate Similarity NPC327969
0.7363 Intermediate Similarity NPC321289
0.7363 Intermediate Similarity NPC186276
0.7358 Intermediate Similarity NPC470961
0.7353 Intermediate Similarity NPC132395
0.7353 Intermediate Similarity NPC111323
0.7353 Intermediate Similarity NPC179208
0.7353 Intermediate Similarity NPC254202
0.7353 Intermediate Similarity NPC471365
0.7353 Intermediate Similarity NPC471364
0.7347 Intermediate Similarity NPC259286
0.7347 Intermediate Similarity NPC171395
0.7347 Intermediate Similarity NPC295347
0.7347 Intermediate Similarity NPC33473
0.734 Intermediate Similarity NPC231599
0.734 Intermediate Similarity NPC113370
0.734 Intermediate Similarity NPC181327
0.734 Intermediate Similarity NPC103743
0.734 Intermediate Similarity NPC476079
0.734 Intermediate Similarity NPC171722
0.7333 Intermediate Similarity NPC267517
0.7333 Intermediate Similarity NPC195424
0.7333 Intermediate Similarity NPC137911
0.7333 Intermediate Similarity NPC228477
0.7327 Intermediate Similarity NPC476888
0.7327 Intermediate Similarity NPC93744
0.7327 Intermediate Similarity NPC194028
0.7327 Intermediate Similarity NPC168319
0.732 Intermediate Similarity NPC263780
0.732 Intermediate Similarity NPC69454
0.732 Intermediate Similarity NPC169343
0.732 Intermediate Similarity NPC476416
0.732 Intermediate Similarity NPC271652
0.732 Intermediate Similarity NPC1108
0.7315 Intermediate Similarity NPC474181
0.7312 Intermediate Similarity NPC110405
0.7312 Intermediate Similarity NPC2709
0.7312 Intermediate Similarity NPC469948
0.7308 Intermediate Similarity NPC144459
0.7308 Intermediate Similarity NPC475294
0.7308 Intermediate Similarity NPC476958
0.7303 Intermediate Similarity NPC470052
0.7303 Intermediate Similarity NPC471220
0.7303 Intermediate Similarity NPC189485
0.7303 Intermediate Similarity NPC4827
0.73 Intermediate Similarity NPC472730
0.73 Intermediate Similarity NPC153776
0.73 Intermediate Similarity NPC177680
0.73 Intermediate Similarity NPC478056
0.73 Intermediate Similarity NPC472729
0.7292 Intermediate Similarity NPC328141
0.7292 Intermediate Similarity NPC8062
0.7292 Intermediate Similarity NPC198818
0.7292 Intermediate Similarity NPC76286
0.729 Intermediate Similarity NPC191620
0.7283 Intermediate Similarity NPC64600
0.7282 Intermediate Similarity NPC40170
0.7282 Intermediate Similarity NPC189616
0.7273 Intermediate Similarity NPC249954
0.7273 Intermediate Similarity NPC472305
0.7273 Intermediate Similarity NPC92080
0.7273 Intermediate Similarity NPC29952
0.7273 Intermediate Similarity NPC112654
0.7273 Intermediate Similarity NPC40353
0.7273 Intermediate Similarity NPC328371
0.7273 Intermediate Similarity NPC153440
0.7273 Intermediate Similarity NPC899
0.7263 Intermediate Similarity NPC470524
0.7263 Intermediate Similarity NPC215831
0.7263 Intermediate Similarity NPC226863
0.7255 Intermediate Similarity NPC80781
0.7255 Intermediate Similarity NPC40918
0.7255 Intermediate Similarity NPC476890
0.7253 Intermediate Similarity NPC44963
0.7253 Intermediate Similarity NPC282293
0.7253 Intermediate Similarity NPC471898
0.7253 Intermediate Similarity NPC472684
0.7253 Intermediate Similarity NPC149237
0.7253 Intermediate Similarity NPC225515
0.7253 Intermediate Similarity NPC121984
0.7253 Intermediate Similarity NPC99308

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478259 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
0.7527 Intermediate Similarity NPD3573 Approved
0.7263 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7334 Approved
0.7234 Intermediate Similarity NPD5330 Approved
0.7234 Intermediate Similarity NPD6409 Approved
0.7234 Intermediate Similarity NPD7146 Approved
0.7234 Intermediate Similarity NPD6684 Approved
0.7234 Intermediate Similarity NPD7521 Approved
0.7216 Intermediate Similarity NPD5693 Phase 1
0.7174 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4695 Discontinued
0.713 Intermediate Similarity NPD6053 Discontinued
0.7083 Intermediate Similarity NPD5737 Approved
0.7083 Intermediate Similarity NPD6672 Approved
0.7083 Intermediate Similarity NPD6903 Approved
0.7053 Intermediate Similarity NPD4623 Approved
0.7053 Intermediate Similarity NPD4519 Discontinued
0.7041 Intermediate Similarity NPD6050 Approved
0.701 Intermediate Similarity NPD6673 Approved
0.701 Intermediate Similarity NPD6904 Approved
0.701 Intermediate Similarity NPD5328 Approved
0.701 Intermediate Similarity NPD6080 Approved
0.701 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5695 Phase 3
0.6989 Remote Similarity NPD4221 Approved
0.6989 Remote Similarity NPD4223 Phase 3
0.6947 Remote Similarity NPD1694 Approved
0.6947 Remote Similarity NPD5329 Approved
0.6939 Remote Similarity NPD5692 Phase 3
0.6939 Remote Similarity NPD5207 Approved
0.6907 Remote Similarity NPD5208 Approved
0.69 Remote Similarity NPD7748 Approved
0.69 Remote Similarity NPD7900 Approved
0.69 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5280 Approved
0.6875 Remote Similarity NPD5690 Phase 2
0.6875 Remote Similarity NPD6098 Approved
0.6875 Remote Similarity NPD4694 Approved
0.6875 Remote Similarity NPD7115 Discovery
0.6869 Remote Similarity NPD5694 Approved
0.6869 Remote Similarity NPD6079 Approved
0.6863 Remote Similarity NPD6083 Phase 2
0.6863 Remote Similarity NPD6084 Phase 2
0.6854 Remote Similarity NPD5733 Approved
0.6842 Remote Similarity NPD3666 Approved
0.6842 Remote Similarity NPD3665 Phase 1
0.6842 Remote Similarity NPD3133 Approved
0.6842 Remote Similarity NPD4786 Approved
0.6842 Remote Similarity NPD4197 Approved
0.6837 Remote Similarity NPD4753 Phase 2
0.6832 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7331 Phase 2
0.6809 Remote Similarity NPD3667 Approved
0.6782 Remote Similarity NPD4137 Phase 3
0.6765 Remote Similarity NPD7732 Phase 3
0.6739 Remote Similarity NPD3617 Approved
0.6729 Remote Similarity NPD6402 Approved
0.6729 Remote Similarity NPD7128 Approved
0.6729 Remote Similarity NPD5739 Approved
0.6729 Remote Similarity NPD6675 Approved
0.6706 Remote Similarity NPD7341 Phase 2
0.6705 Remote Similarity NPD4747 Approved
0.6705 Remote Similarity NPD4691 Approved
0.6701 Remote Similarity NPD4689 Approved
0.6701 Remote Similarity NPD4693 Phase 3
0.6701 Remote Similarity NPD5205 Approved
0.6701 Remote Similarity NPD5279 Phase 3
0.6701 Remote Similarity NPD3618 Phase 1
0.6701 Remote Similarity NPD4690 Approved
0.6701 Remote Similarity NPD4688 Approved
0.6701 Remote Similarity NPD4138 Approved
0.67 Remote Similarity NPD6411 Approved
0.67 Remote Similarity NPD7515 Phase 2
0.6699 Remote Similarity NPD7902 Approved
0.6699 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6101 Approved
0.6667 Remote Similarity NPD4687 Approved
0.6667 Remote Similarity NPD3668 Phase 3
0.6635 Remote Similarity NPD5696 Approved
0.6634 Remote Similarity NPD6399 Phase 3
0.6634 Remote Similarity NPD5778 Approved
0.6634 Remote Similarity NPD5779 Approved
0.6629 Remote Similarity NPD5276 Approved
0.6606 Remote Similarity NPD7320 Approved
0.6606 Remote Similarity NPD6899 Approved
0.6606 Remote Similarity NPD6881 Approved
0.6604 Remote Similarity NPD5211 Phase 2
0.6593 Remote Similarity NPD8039 Approved
0.6574 Remote Similarity NPD6008 Approved
0.6571 Remote Similarity NPD5286 Approved
0.6571 Remote Similarity NPD4700 Approved
0.6571 Remote Similarity NPD4696 Approved
0.6571 Remote Similarity NPD5285 Approved
0.6569 Remote Similarity NPD6001 Approved
0.6545 Remote Similarity NPD6373 Approved
0.6545 Remote Similarity NPD6372 Approved
0.6535 Remote Similarity NPD5284 Approved
0.6535 Remote Similarity NPD5281 Approved
0.6531 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6514 Remote Similarity NPD5697 Approved
0.6514 Remote Similarity NPD5701 Approved
0.6505 Remote Similarity NPD4629 Approved
0.6505 Remote Similarity NPD5210 Approved
0.6505 Remote Similarity NPD5654 Approved
0.65 Remote Similarity NPD6051 Approved
0.6486 Remote Similarity NPD7102 Approved
0.6486 Remote Similarity NPD7290 Approved
0.6486 Remote Similarity NPD6883 Approved
0.6484 Remote Similarity NPD4058 Approved
0.6481 Remote Similarity NPD5141 Approved
0.6476 Remote Similarity NPD7638 Approved
0.6471 Remote Similarity NPD4202 Approved
0.6449 Remote Similarity NPD5225 Approved
0.6449 Remote Similarity NPD5224 Approved
0.6449 Remote Similarity NPD5226 Approved
0.6449 Remote Similarity NPD4633 Approved
0.6442 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6442 Remote Similarity NPD4697 Phase 3
0.6442 Remote Similarity NPD5221 Approved
0.6442 Remote Similarity NPD5222 Approved
0.6442 Remote Similarity NPD7614 Phase 1
0.6437 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6436 Remote Similarity NPD4096 Approved
0.6429 Remote Similarity NPD6617 Approved
0.6429 Remote Similarity NPD8130 Phase 1
0.6429 Remote Similarity NPD6650 Approved
0.6429 Remote Similarity NPD6649 Approved
0.6429 Remote Similarity NPD6869 Approved
0.6429 Remote Similarity NPD6847 Approved
0.6415 Remote Similarity NPD7639 Approved
0.6415 Remote Similarity NPD7640 Approved
0.64 Remote Similarity NPD4518 Approved
0.6396 Remote Similarity NPD6014 Approved
0.6396 Remote Similarity NPD6012 Approved
0.6396 Remote Similarity NPD6013 Approved
0.6392 Remote Similarity NPD4788 Approved
0.6389 Remote Similarity NPD5174 Approved
0.6389 Remote Similarity NPD5175 Approved
0.6381 Remote Similarity NPD5173 Approved
0.6381 Remote Similarity NPD5959 Approved
0.6372 Remote Similarity NPD6882 Approved
0.6372 Remote Similarity NPD8297 Approved
0.6364 Remote Similarity NPD6412 Phase 2
0.6355 Remote Similarity NPD5223 Approved
0.6354 Remote Similarity NPD4139 Approved
0.6354 Remote Similarity NPD8028 Phase 2
0.6354 Remote Similarity NPD4692 Approved
0.6316 Remote Similarity NPD4195 Approved
0.6311 Remote Similarity NPD5133 Approved
0.6306 Remote Similarity NPD6686 Approved
0.6306 Remote Similarity NPD6011 Approved
0.6292 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6273 Remote Similarity NPD4768 Approved
0.6273 Remote Similarity NPD4767 Approved
0.625 Remote Similarity NPD5282 Discontinued
0.625 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6052 Approved
0.6239 Remote Similarity NPD4754 Approved
0.6228 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6216 Remote Similarity NPD5954 Clinical (unspecified phase)
0.619 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4225 Approved
0.6167 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6161 Remote Similarity NPD4729 Approved
0.6161 Remote Similarity NPD5128 Approved
0.6161 Remote Similarity NPD4730 Approved
0.6148 Remote Similarity NPD7507 Approved
0.6146 Remote Similarity NPD7645 Phase 2
0.6117 Remote Similarity NPD6698 Approved
0.6117 Remote Similarity NPD46 Approved
0.6111 Remote Similarity NPD6404 Discontinued
0.6106 Remote Similarity NPD4061 Clinical (unspecified phase)
0.61 Remote Similarity NPD1733 Clinical (unspecified phase)
0.61 Remote Similarity NPD1696 Phase 3
0.6071 Remote Similarity NPD6614 Approved
0.6068 Remote Similarity NPD6274 Approved
0.6061 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6061 Remote Similarity NPD7154 Phase 3
0.6053 Remote Similarity NPD5249 Phase 3
0.6053 Remote Similarity NPD5247 Approved
0.6053 Remote Similarity NPD5248 Approved
0.6053 Remote Similarity NPD5250 Approved
0.6053 Remote Similarity NPD4634 Approved
0.6053 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6053 Remote Similarity NPD5251 Approved
0.605 Remote Similarity NPD7101 Approved
0.605 Remote Similarity NPD7100 Approved
0.6032 Remote Similarity NPD7260 Phase 2
0.6 Remote Similarity NPD5215 Approved
0.6 Remote Similarity NPD7319 Approved
0.6 Remote Similarity NPD6059 Approved
0.6 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6 Remote Similarity NPD5217 Approved
0.6 Remote Similarity NPD287 Approved
0.6 Remote Similarity NPD6054 Approved
0.6 Remote Similarity NPD5216 Approved
0.5966 Remote Similarity NPD6335 Approved
0.5962 Remote Similarity NPD5785 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  440.33
ALogP:  2.9857
MLogP:  4.32
XLogP:  7.905
# Rotatable Bonds:  12
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  32

Download Data

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