ID: 123418
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)(O)C2CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -12.523
InChIKey:MDBFVTRRAIYKLW-UHFFFAOYSA-N
ID: 123419
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2CC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 123420
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(CCC=C(C)CC1)COC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.425
InChIKey:FGOXHUPUBOAFFA-UHFFFAOYSA-N
ID: 123421
SMILES:CC(=CCc1c(O)cc(CCC)cc1OC)CCC=C(C(=O)O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.992
InChIKey:NYPIQNFMLCMUFU-UHFFFAOYSA-N
ID: 123422
SMILES:c1(O)c(C(C)C)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.007
InChIKey:QWOGQDLYJIUGPH-UHFFFAOYSA-N
ID: 123423
SMILES:c1(CC=C)cc(OC)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.929
InChIKey:PTYJDBNVLOTBSB-UHFFFAOYSA-N
ID: 123424
SMILES:C(C)(O)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.582
InChIKey:RYBCXAHJHZXWFZ-UHFFFAOYSA-N
ID: 123425
SMILES:C1C(C(=C)C)CCC(C)C1=Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.502
InChIKey:QBMSPQPOWDWADD-UHFFFAOYSA-N
ID: 123426
SMILES:Oc1c(C2C(C(C)C)CCC(C)=C2)c(CCC)cc(O)c1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -14.576
InChIKey:RMIJUEVLJXESML-UHFFFAOYSA-N
ID: 123427
SMILES:c1(C)c(C)c2c(c(O)c1OC)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.374
InChIKey:SYJAURDOCRXRQN-UHFFFAOYSA-N
ID: 123428
SMILES:C(C)CCCc1ccc2c(c1)OC(C)(C)C1=C2CC(Br)C(C)(Cl)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 411.811
CB1 binding score: -15.21
InChIKey:BKMJJOXNRAEBLM-UHFFFAOYSA-N
ID: 123429
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)CCC=C(C)C)(CCC1C)CC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -13.741
InChIKey:SOYNTPBYMJUZIX-UHFFFAOYSA-N
ID: 123430
SMILES:CC(C)C1CCC(C)=CC1c1c(CCCCC)cc(O)c(C=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 328.496
CB1 binding score: -12.406
InChIKey:DTMVLZSSABRBLS-UHFFFAOYSA-N
ID: 123431
SMILES:O(C1=CC(=O)C(=O)C(CCCCCCCCCC)=C1C1C(C(=C)C)CCC(C)=CC1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -11.53
InChIKey:NXJUOJDMZLIQEV-UHFFFAOYSA-N
ID: 123432
SMILES:C(C(CCC=C(C)C)=CCc1c(O)cc(CCCCC)cc1O)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -12.331
InChIKey:IOEFZFUDPZUJOC-UHFFFAOYSA-N
ID: 123433
SMILES:CCCCCc1cc(O)c2c(c1)OC(C(C)(C)O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -17.942
InChIKey:PRKDRANYBPHDBW-UHFFFAOYSA-N
ID: 123434
SMILES:C1C(CC(CCC=C(C)C)=C)Oc2c(c(O)cc(C)c2)C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.281
InChIKey:SLXCVAKHFNWMCY-UHFFFAOYSA-N
ID: 123435
SMILES:C1(C(C)(O)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 123436
SMILES:COc1c(CC=C(CCC=C(C)C)C)cc(O)c(CC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.159
InChIKey:SNSOBJQITAPANC-UHFFFAOYSA-N
ID: 123437
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1OC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 123438
SMILES:CC(C)=CCCC1(C)Oc2c(c(O)cc3c2CN(CCc2ccccc2)C3)C1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 445.647
CB1 binding score: -11.225
InChIKey:KBKVGSMZQIKULQ-UHFFFAOYSA-N