ID: 67579
SMILES:c1c(CC=C(C)CCC=C(C)C)c(O)c(CC=C(C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 67580
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 67581
SMILES:C(C1(OC)C2CC2C2(C)C1c1c(cc(CCCCC)cc1O)O2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.821
InChIKey:BZVLICAFEMNCAO-UHFFFAOYSA-N
ID: 67582
SMILES:c1c(CC(=O)OC)cc(O)c2c1OC1(C)C2CC(C(C)(O)C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.71
InChIKey:BQGOFUIWJAFMIK-UHFFFAOYSA-N
ID: 67583
SMILES:C(C(O)C1(C)Oc2cc(CCCCC)cc(O)c2C2CC(CO)=CCC12)(O)C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.573
CB1 binding score: -15.963
InChIKey:WFJKJBQSMUAOCZ-UHFFFAOYSA-N
ID: 67584
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 67585
SMILES:Oc1cc(CCCC)cc2c1C1CC(C(C)=C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:RPOWHHWWHKGINO-UHFFFAOYSA-N
ID: 67586
SMILES:c1(O)c2c(cc(CCC(O)CC)c1Br)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.364
CB1 binding score: Not available
InChIKey:NKHCSHMXHIWGEE-UHFFFAOYSA-N
ID: 67587
SMILES:O(C(=O)C)C1C(O)(C)CC2C(C(C)(C)Oc3c(C(=O)C(C)C)c(O)cc(CCCCC)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.611
CB1 binding score: -15.222
InChIKey:RAFOYZXPZJRVAZ-UHFFFAOYSA-N
ID: 67588
SMILES:c1(OC)cc(CCCC)cc2c1C1C(C(CO)=CC2)CC(C)(C(O)CCC(C)=C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.444
InChIKey:VRIWQMCLUSFEAX-UHFFFAOYSA-N
ID: 67589
SMILES:c1(O)c2c(cc(CCCCC)c1O)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.726
InChIKey:DMNRPEORHATDBG-UHFFFAOYSA-N
ID: 67590
SMILES:C1CC(=C(CO)C)C(c2c(O)c(C(=O)O)c(CCC)cc2O)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -17.425
InChIKey:GOVFHMNLCCCDKR-UHFFFAOYSA-N
ID: 67591
SMILES:CC(=CCCC(=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 67592
SMILES:CC(C(C(=O)Oc1cc(CCCCC)cc2c1OC(C)(C)C1C2CC(C)=CC1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.614
CB1 binding score: -6.356
InChIKey:PXYBIUSKSDGIDZ-UHFFFAOYSA-N
ID: 67593
SMILES:Oc1c(CC=C(C)C(C(C=C(C)C)O)O)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.279
InChIKey:KGKAGSWDAMASNI-UHFFFAOYSA-N
ID: 67594
SMILES:c1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 67595
SMILES:C12(C(C)C)C(c3c(O)cc(CCCCC)cc3O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.163
InChIKey:KYUDWWFBUGXIFO-UHFFFAOYSA-N
ID: 67596
SMILES:C(CC=C(C)C)C(C=Cc1c(O)cc(O)cc1CCCCC)(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.502
InChIKey:UIKUQLAAVGEYFL-UHFFFAOYSA-N
ID: 67597
SMILES:C(CCC)Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 67598
SMILES:C(CC=C(C)C)C(C)=CCCC(=CCc1c(O)cc(CCCCCO)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -16.782
InChIKey:ZKKSUUGHFOIVDB-UHFFFAOYSA-N
ID: 67599
SMILES:CC1(C)OC(CCC(CO)=CC(CC(=CCc2c(O)c(C)cc(OC)c2)C)=O)=C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.655
InChIKey:JCBBTTWRWSYKFV-UHFFFAOYSA-N