ID: 94417
SMILES:C1(C)(CC(O)C=C(C)C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.287
InChIKey:HJJUWYXQJLXENP-UHFFFAOYSA-N
ID: 94418
SMILES:Oc1c2c(cc(C)c1)OC(CC1OC1(C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 262.349
CB1 binding score: -16.502
InChIKey:ADCUGPCGRFGTKJ-UHFFFAOYSA-N
ID: 94419
SMILES:C1C(O)C(C)(C)Oc2c1c(CCCCC)cc(O)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.97
InChIKey:AAMBLZHCTYZEJW-UHFFFAOYSA-N
ID: 94420
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.943
InChIKey:QEHBBKPSPMYZHK-UHFFFAOYSA-N
ID: 94421
SMILES:C12CC(=C)CCC1(O)C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.588
InChIKey:IHDYIESSTWFQIF-UHFFFAOYSA-N
ID: 94422
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 94423
SMILES:C(CC(C)C)C=C(c1ccc2c(c1)OC(C)(C)C1C2CC(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 340.551
CB1 binding score: -13.925
InChIKey:SVKZKJTTXSWBMP-UHFFFAOYSA-N
ID: 94424
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2CCC(=C)C3CC(O)C(CO)=C3CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.358
InChIKey:JKXLSURICSRAQZ-UHFFFAOYSA-N
ID: 94425
SMILES:CC1=CC2C(C(C)(C)Oc3c(C(=O)C(CC)C)c(O)cc(O)c32)CC2C1CC(OC(=O)C=C(C)C)C2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 526.67
CB1 binding score: -16.502
InChIKey:SXWDLZVOKCCVTH-UHFFFAOYSA-N
ID: 94426
SMILES:CC(=C)C1CCC(C)=CC(c2c(O)ccc(N(C)C)c2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.431
CB1 binding score: -16.844
InChIKey:OCRGJFJDZUORKK-UHFFFAOYSA-N
ID: 94427
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 94428
SMILES:CNCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.403
CB1 binding score: -18.161
InChIKey:DSYZWTFIYZTJPF-UHFFFAOYSA-N
ID: 94429
SMILES:C(C)CCc1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.642
InChIKey:SPASQAHJKSUWKO-UHFFFAOYSA-N
ID: 94430
SMILES:C(=CC(C)C)(CCC(=O)C)C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.946
InChIKey:UEPKZWSBFWXXML-UHFFFAOYSA-N
ID: 94431
SMILES:COc1cc(CCCCCCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.065
InChIKey:PLIDDRUBPJBSNN-UHFFFAOYSA-N
ID: 94432
SMILES:C12(C)CCC(C(=C)C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.819
InChIKey:KAMBAVCQZNPQOI-UHFFFAOYSA-N
ID: 94433
SMILES:CC1(C)C2CC=C(C(=O)O)CC2c2c(cc(C)cc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.164
InChIKey:ISFUXHHLFCWBEW-UHFFFAOYSA-N
ID: 94434
SMILES:C(C=C(C)C)CC(C1C(c2c(O)cc(C)cc2OC)C=C(C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -19.143
InChIKey:COSWUHUAMAPMOU-UHFFFAOYSA-N
ID: 94435
SMILES:C(C(=C)C)(c1c(=O)oc2c(c1O)C1C=C(C)CCC1C(C)(C)O2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.929
InChIKey:WBOSIKKGCYJSSJ-UHFFFAOYSA-N
ID: 94436
SMILES:CC(C)C1C(c2c(O)cc(CCC)cc2O)OC(=O)C12CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.804
InChIKey:VRZXDPBEIDGYNO-UHFFFAOYSA-N
ID: 94437
SMILES:ONC(c1c(CCCCC)cc2c(c1O)C=CC(C)(C)O2)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 305.374
CB1 binding score: -14.373
InChIKey:LGFVLDHZEUTEIY-UHFFFAOYSA-N