ID: 50674
SMILES:c1(OC)c2c(c(O)c(CC(=O)C)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.899
InChIKey:UZDUOCCXDZMHJU-UHFFFAOYSA-N
ID: 50675
SMILES:Oc1cc(OC)cc(O)c1C1C(C(=C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.286
InChIKey:VBGLQLUQKZRKHZ-UHFFFAOYSA-N
ID: 50676
SMILES:C(Cc1c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.097
InChIKey:TYVZIXPPFXHYMP-UHFFFAOYSA-N
ID: 50677
SMILES:C1(c2c(O)cc(CCCC)cc2O)CC2CCC(O)(C)C1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.698
InChIKey:QAHLAGUQQISGCT-UHFFFAOYSA-N
ID: 50678
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 50679
SMILES:c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C3C(=C(C)C(=O)O3)C(O)C1(C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -16.09
InChIKey:NLZLBOFWMGVKDC-UHFFFAOYSA-N
ID: 50680
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(O)(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.686
InChIKey:JXLOXQRGEOZDJN-UHFFFAOYSA-N
ID: 50681
SMILES:c1(CCCCC)ccc2c(c1)OC(C)(C)C1C2C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.164
InChIKey:JKVPITCSYOZMNN-UHFFFAOYSA-N
ID: 50682
SMILES:Oc1c(OC(C)=O)c(CC(O)C(O)C)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.476
CB1 binding score: -15.751
InChIKey:QXFAWMJVDUHRFD-UHFFFAOYSA-N
ID: 50683
SMILES:c1c(C2C=C(C)CCC2C(C)=C)c(O)c(C=O)c(CCC=CC)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.593
InChIKey:GHRLLTTXIKXBLB-UHFFFAOYSA-N
ID: 50684
SMILES:CC(C)CC(=O)OCc1c(C(=O)OC)c(CCCCC)cc2c1CC(C(C)(C)O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -15.929
InChIKey:NTQVIRRCVPGHLR-UHFFFAOYSA-N
ID: 50685
SMILES:c1(CCCCCCC)cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -15.298
InChIKey:OHVJMCWZORSJIG-UHFFFAOYSA-N
ID: 50686
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(=C)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.819
InChIKey:KAMBAVCQZNPQOI-UHFFFAOYSA-N
ID: 50687
SMILES:C(C)(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 50688
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.165
InChIKey:VBYUZBSQYMNTJZ-UHFFFAOYSA-N
ID: 50689
SMILES:C1C(=O)C(CO)=C2CC(C)(CO)CC2C=COC1C(C)=CCc1c(O)c(C)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -12.547
InChIKey:JQDAOPYBSWNQGI-UHFFFAOYSA-N
ID: 50690
SMILES:c12c(ccc(O)c1)C1C=C(COC)CCC1C(C)(CCC=C(C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.929
InChIKey:UTMYDXYWGFRCGE-UHFFFAOYSA-N
ID: 50691
SMILES:c1(CCCC)cc2c(c(O)c1)C1=C(CC(COC(=O)C)=CCCC(C)=C1)C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -16.256
InChIKey:BLQIVQWYPXARPV-UHFFFAOYSA-N
ID: 50692
SMILES:C1C(C(C)C)C(c2c(O)cc(CC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.748
InChIKey:LLAAZDYTZYGRPH-UHFFFAOYSA-N
ID: 50693
SMILES:c1(CC(N)C(=O)O)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 331.412
CB1 binding score: -16.002
InChIKey:OZSGYLXVMQVYNF-UHFFFAOYSA-N
ID: 50694
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(OC)cc(O)c3C(CC(C)C)=O)C(CC=C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -15.367
InChIKey:NOQHEPAZNBRTHZ-UHFFFAOYSA-N