ID: 34399
SMILES:c1(O)c2c(cc(CCC)c1)OC(C)(C)C1=C2CC(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.562
InChIKey:VEEVADLJZPTBPC-UHFFFAOYSA-N
ID: 34400
SMILES:C(CCCC)c1ccc2c(c1)C1=C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -17.311
InChIKey:FFCRKRUHSGOAFM-UHFFFAOYSA-N
ID: 34401
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2CC1CC=C(CO)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.131
InChIKey:ZDWGROAXHKRUTE-UHFFFAOYSA-N
ID: 34402
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 34403
SMILES:CC1(C)C2C1C1OC(C)(CC1)Oc1c(C(OC)=O)c(O)c(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -13.844
InChIKey:CYKOYUPFCUBXTG-UHFFFAOYSA-N
ID: 34404
SMILES:c1(O)c2c(ccc1CCCCCC)OC(C)(C)C1C2CC(C)(O)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.885
InChIKey:YMXOUOKARCHNOD-UHFFFAOYSA-N
ID: 34405
SMILES:c1(CCCCC)cc(O)cc(O)c1CC1C(=C)CCC(O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.897
InChIKey:FQMSBDDCXYYJQY-UHFFFAOYSA-N
ID: 34406
SMILES:C(CCC)Cc1cc(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.943
InChIKey:AQFXVBGXHOAFAM-UHFFFAOYSA-N
ID: 34407
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C3C(C(O1)CC3(C)O)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.497
InChIKey:HFVIPOHMKAUNEV-UHFFFAOYSA-N
ID: 34408
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(CCC=C(C)CO)C(=O)OC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.047
InChIKey:PHBBIOURCYCVMX-UHFFFAOYSA-N
ID: 34409
SMILES:c1(-c2cc(OCC=C(C=O)C)c(O)cc2)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.532
CB1 binding score: -15.502
InChIKey:XTKDROQTWDXMRI-UHFFFAOYSA-N
ID: 34410
SMILES:C(Cc1cc(C2C=C(C)CCC2C(=C)C)ccc1O)CN(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -14.751
InChIKey:HXXIWBZOHPBVFU-UHFFFAOYSA-N
ID: 34411
SMILES:C1(O)C(c2c(O)cc(CCC)cc2O)C=C(CCC=C(C)C)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.607
InChIKey:NIRORNOLXVFYBI-UHFFFAOYSA-N
ID: 34412
SMILES:C1(C)C2CC=C(C)CC2(O)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.867
InChIKey:AMVAXOLXKQPGHB-UHFFFAOYSA-N
ID: 34413
SMILES:C1(C(=C)C)C(c2c(CCCCC)cc(O)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 34414
SMILES:C(CCc1cc2c(c(O)c1)CC(O)C(C)(CCC=C(C)C)O2)c1ccoc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.553
InChIKey:LBKLFJFVPMMPFJ-UHFFFAOYSA-N
ID: 34415
SMILES:c1(CC(O)C(O)(C)C)c(CCCCC)cc2c(c1O)C1C(C(C)(OC(C)=O)CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.638
CB1 binding score: -14.245
InChIKey:VMSATAJDEIRNIV-UHFFFAOYSA-N
ID: 34416
SMILES:C(c1c(O)c2c(cc1C)OC(C)(C)C1C2C=C(C)CC1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.913
InChIKey:SSXGVPSEIMSGLQ-UHFFFAOYSA-N
ID: 34417
SMILES:C1C(C)(C)C(Cc2c(O)c(OC(=O)C)cc(CCCCC)c2)=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.054
InChIKey:IJEFINHAJKJIMC-UHFFFAOYSA-N
ID: 34418
SMILES:O(C)C(=O)C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 34419
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N