ID: 88684
SMILES:c1(CC=C(C)CCC=C(C)C)c(O)ccc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 88685
SMILES:C1(C)=CCC2=C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -17.112
InChIKey:NQMNNVGUGXFEGE-UHFFFAOYSA-N
ID: 88686
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 88687
SMILES:Cc1cc(=O)c(OC)c2c3c1OC(C)(C)C1C3C(CCC1(O)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.21
InChIKey:GBXFUUOEKXOMRY-UHFFFAOYSA-N
ID: 88688
SMILES:C12C(C)(CCCC1(C)C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 88689
SMILES:OC12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(O)C1C(C(C=CC=CC)=O)(C(C=C(C)C)C(=O)C3(C)OC13)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.746
CB1 binding score: -14.69
InChIKey:DGWXENBPLVGKDF-UHFFFAOYSA-N
ID: 88690
SMILES:C1C2=C(c3c(cc(CCCCC)cc3O)O1)CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.434
InChIKey:SIVIFRYDHQURLF-UHFFFAOYSA-N
ID: 88691
SMILES:c1(CCCCC)cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 88692
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C=O)=C)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.568
InChIKey:PGYPDKPMCAEERZ-UHFFFAOYSA-N
ID: 88693
SMILES:O(C1CC(C)=CC2C(C(C)(C)Oc3cc(CCCCCO)cc(O)c32)C=C1C)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -16.284
InChIKey:GGUHAVPQAXFMMM-UHFFFAOYSA-N
ID: 88694
SMILES:O=C(Cc1cc(O)c(OC)c(O)c1)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.492
CB1 binding score: -14.884
InChIKey:QKJINGPPKKGJSJ-UHFFFAOYSA-N
ID: 88695
SMILES:C1=C(C)CC2C(C(C(OC)=O)=C1)c1c(c(OC)ccc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -17.07
InChIKey:LAYZIDCWDIVZRA-UHFFFAOYSA-N
ID: 88696
SMILES:CC(CCC=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.146
InChIKey:VFUDXMNSTIMSCI-UHFFFAOYSA-N
ID: 88697
SMILES:C1C2(C)Oc3c(c(O)cc(C(C)C(CC4C(C)(C)O4)O)c3)CC2C(O)C(C(O)(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.573
CB1 binding score: -10.719
InChIKey:NWBOJBPWUULERN-UHFFFAOYSA-N
ID: 88698
SMILES:C(c1[n+]cc(CCCCC)cc1)C1OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 233.355
CB1 binding score: -14.605
InChIKey:WOLDIWYZKSFSMR-UHFFFAOYSA-N
ID: 88699
SMILES:CC(CC(=O)O)c1cc(O)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.443
InChIKey:PIERBUXGTXBUAL-UHFFFAOYSA-N
ID: 88700
SMILES:c1(O)cc(CCc2cc(O)c3c(c2)OC(C)(C)C2CCC(C)CC23)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.5
CB1 binding score: -16.055
InChIKey:LKDYKWQCVLBPIT-UHFFFAOYSA-N
ID: 88701
SMILES:C1C(C)(O)CC(c2c(O)cc(CCCC)cc2O)OC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.347
CB1 binding score: -14.305
InChIKey:XTOGXGKSWSNIRZ-UHFFFAOYSA-N
ID: 88702
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(CCC=C(CO)C)(C)OC1(C)CC=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -15.519
InChIKey:WOLJKTILGPRKFU-UHFFFAOYSA-N
ID: 88703
SMILES:C(CCc1cc2c(c(O)c1)-c1c(cc(C)cc1O)C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.509
InChIKey:PXHSSZYYAITGFB-UHFFFAOYSA-N
ID: 88704
SMILES:C1(C)=CCCC(C)=CC2C(CCC2=C)C(C)(C)Oc2cc(C)cc(OC(=O)C)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -15.358
InChIKey:HJHWZNPSEVSOPN-UHFFFAOYSA-N