ID: 96811
SMILES:C(CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(C)CCC1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.473
CB1 binding score: -19.364
InChIKey:YUMDGTQGXKDSPV-UHFFFAOYSA-N
ID: 96812
SMILES:c1(C)oc2c3c(ccc(C)c13)OC(C)(C)C1CCC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -15.457
InChIKey:WFIWXBOIQBQQBE-UHFFFAOYSA-N
ID: 96813
SMILES:CC(=CCCCCCl)CCCc1ccc(C2C(C(=C)C)CC(O)C(CO)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 447.059
CB1 binding score: -15.048
InChIKey:NZUKTBNGJTXELA-UHFFFAOYSA-N
ID: 96814
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)([N+]#[C-])C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 297.398
CB1 binding score: -16.342
InChIKey:NBFZGSGTTMYSEG-UHFFFAOYSA-N
ID: 96815
SMILES:OC(C)(C1C2c3c(cc(CCCCC)cc3OC2(C)C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -13.749
InChIKey:YGVXEJWEISRXDW-UHFFFAOYSA-N
ID: 96816
SMILES:C1(=O)c2c(O)cc(CCC)cc2OC(C)(CCC=C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.427
InChIKey:UICJWNGMMYLYIP-UHFFFAOYSA-N
ID: 96817
SMILES:OC1(C)C2C(c3c(O)cc(CCCC)cc3O1)C1C(C)(C3(O)CC21)CC(C(C)=C)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.344
InChIKey:XMDYPOXNHWRQOT-UHFFFAOYSA-N
ID: 96818
SMILES:c1c(C=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2O)c2c(cc1)CCN1C2CC(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 501.711
CB1 binding score: -16.74
InChIKey:PLCJQHJGQYXLJK-UHFFFAOYSA-N
ID: 96819
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(COC=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.978
InChIKey:FEHKXCBBFRXOHB-UHFFFAOYSA-N
ID: 96820
SMILES:c1(O)c(C(CCC=C(C)C)C)c(O)cc(CCCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 304.474
CB1 binding score: -15.781
InChIKey:NUGVRPSBCBEKJF-UHFFFAOYSA-N
ID: 96821
SMILES:C(Cc1c(C(=O)O)cc2c(c1)OC(C)(C)C1CCC(C)=CC12)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -16.232
InChIKey:NUEXITVECNQBDL-UHFFFAOYSA-N
ID: 96822
SMILES:C1(C)(C)C2CC=C(C)CC2c2cc(CCCCC)ccc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -15.944
InChIKey:ZEWSYBNSORYVTF-UHFFFAOYSA-N
ID: 96823
SMILES:C(C=CCCC(C)(c1c(O)c(C2(O)CCc3cc(O)c(CC=C(C)C)c(O)c3C=O)c(O)cc2OC(O)C1)CC)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 610.788
CB1 binding score: -14.724
InChIKey:AHULGNKAQLBHTJ-UHFFFAOYSA-N
ID: 96824
SMILES:C1C(Br)C(C)(C)OC(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.315
CB1 binding score: -14.374
InChIKey:OGRKSBBRUPAFEN-UHFFFAOYSA-N
ID: 96825
SMILES:C(C=C(CC(C=C(C)C)O)C)c1cc(O)c(CC=C(C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.53
InChIKey:XQLRFFCTJKKVSX-UHFFFAOYSA-N
ID: 96826
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 96827
SMILES:Oc1cc(CCC)c2c(c1CO)OC(C)(C)C1CCC(=C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.982
InChIKey:ZHWBBGZLVQUVHJ-UHFFFAOYSA-N
ID: 96828
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 96829
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.689
InChIKey:WNPKXZGXEILAIQ-UHFFFAOYSA-N
ID: 96830
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C1C(O)C(O)C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.481
CB1 binding score: -15.735
InChIKey:QKCITIYMXHEJQG-UHFFFAOYSA-N
ID: 96831
SMILES:Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.807
InChIKey:FNKHDLUJVTYPJE-UHFFFAOYSA-N