ID: 52795
SMILES:Oc1c(CCCC)c(O)c2c(c1C(=O)O)OC1(C)CC2C(C(CCC=C(C)C)(C)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -15.929
InChIKey:CIMXFKMMMHRZIQ-UHFFFAOYSA-N
ID: 52796
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)c1c-2c(O)c(O)c(C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -18.048
InChIKey:KORBALQKVKUOLN-UHFFFAOYSA-N
ID: 52797
SMILES:C1C(=O)C(C)CC2C1C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 258.361
CB1 binding score: -16.502
InChIKey:PSEYYNAVIQVGQB-UHFFFAOYSA-N
ID: 52798
SMILES:C(CCO)c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -18.187
InChIKey:FUEADGXPHHHKGJ-UHFFFAOYSA-N
ID: 52799
SMILES:Oc1cc(CCCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 52800
SMILES:c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 52801
SMILES:CC(C1CCC(C)(CCO)C1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.527
CB1 binding score: -13.909
InChIKey:LQEJVKTWKGVMEI-UHFFFAOYSA-N
ID: 52802
SMILES:c1c(O)c2c(cc1CCCCC)C1C(C(C)C)CCC2(C)OC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.966
InChIKey:NRMOYXLZSHWSMA-UHFFFAOYSA-N
ID: 52803
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -19.296
InChIKey:GEMPDHCIWOATES-UHFFFAOYSA-N
ID: 52804
SMILES:CC12C3(O)CCC(C)C3C1C(C(C)(C)Oc1cc(CCCCC)c(O)c(O)c12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -14.776
InChIKey:YURBTZVNCVBNNJ-UHFFFAOYSA-N
ID: 52805
SMILES:C=C(C1CCC(=C)CC1c1c(O)cc(C)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.868
InChIKey:JGZSDZXNHSKGNP-UHFFFAOYSA-N
ID: 52806
SMILES:c1(OC)cc(O)c(C(=O)C(CC)C)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.929
InChIKey:NGUQQDZJMHSPSW-UHFFFAOYSA-N
ID: 52807
SMILES:C=C1C24CCCC1=C(C)C(=O)OC21CC2C1c1c(cc(CCCCC)cc1OC(C)=O)OC4(O)C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.666
CB1 binding score: -16.015
InChIKey:VBSYVSOHETZMQC-UHFFFAOYSA-N
ID: 52808
SMILES:C1CC2(Oc3cc(CCCCC)cc(O)c31)C(C)(C)CCCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -15.992
InChIKey:RGEXUTUHVOSMOA-UHFFFAOYSA-N
ID: 52809
SMILES:c1(C(=O)C=O)c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.288
InChIKey:WEVLPVZNQLDQEL-UHFFFAOYSA-N
ID: 52810
SMILES:c1(CCc2ccccc2)cc(OC)c2c3c1OC(C)(C)C1C3C(C(C)(C)O1)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -13.639
InChIKey:CPKULTRBJUORGA-UHFFFAOYSA-N
ID: 52811
SMILES:Oc1c(CC=C(CCC=C(C)C)C)cc(O)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 52812
SMILES:C1(CC(C)(OCOC)C)CC(C)=CC2c3c(ccc(O)c3)OC1C2C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -11.135
InChIKey:HUJGTNBGXTWLJJ-UHFFFAOYSA-N
ID: 52813
SMILES:C1C(C)=CC2C(C1)C(C)(C)Oc1c2ccc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -17.328
InChIKey:LKGQBPKYNKTDTR-UHFFFAOYSA-N
ID: 52814
SMILES:C12=CC3(C)CCC(C)(C(C)C)C3C([N+]#[C-])CCC1COc1c2c(OC)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 449.679
CB1 binding score: -15.571
InChIKey:YZJBLHPQLPADFO-UHFFFAOYSA-N
ID: 52815
SMILES:c1(CCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N