ID: 122893
SMILES:o1c(C(C)(CC)C)nc2c1C1CCC(C)C3(C(=O)C(c4ccccc4)=C1OC(C)(C)C1C3C2)CC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 513.722
CB1 binding score: -13.83
InChIKey:UYBRZQYWPSUVAS-UHFFFAOYSA-N
ID: 122894
SMILES:O=Cc1c(O)c2c(cc1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.794
InChIKey:NVMVPJFFDBGKGT-UHFFFAOYSA-N
ID: 122895
SMILES:c12c(cccc1CCCCC)C1C(C(C)(CCC=C(C)C)O1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -16.658
InChIKey:VKSSUAGNEAJZJF-UHFFFAOYSA-N
ID: 122896
SMILES:C(Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(=C)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.239
InChIKey:RJNNOEHZIDYWPA-UHFFFAOYSA-N
ID: 122897
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 122898
SMILES:C1(C)=CC(c2c(OC)cc(OC)c(Cl)c2C)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.86
CB1 binding score: -13.18
InChIKey:KFZHOTJZAQDYHF-UHFFFAOYSA-N
ID: 122899
SMILES:c1(CCC)cc(O)c(NC2=C(CC(C)=O)c3cccc4c3C(C(C(C)(CCC=C(C)C)O)O4)c3cc(CCCCC)cc(O)c32)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 653.86
CB1 binding score: -14.234
InChIKey:RQIXNEPYAURVJL-UHFFFAOYSA-N
ID: 122900
SMILES:c1c(CCCCC)cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -16.509
InChIKey:MLCKWRUGCHWRTA-UHFFFAOYSA-N
ID: 122901
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 122902
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1Cc3c(O)cc2c(O)c(C)c(C)c13)CCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -15.904
InChIKey:BPOYSWSRSBPANZ-UHFFFAOYSA-N
ID: 122903
SMILES:CC(C)C(=CCc1c(O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.032
InChIKey:ZGZPAPLGHLQQKK-UHFFFAOYSA-N
ID: 122904
SMILES:C(OC1C(C)=CC2c3c(c(OC)cc(C)c31)OC(C)(C)CC2)(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.936
InChIKey:ZZQYOHZIVIOBNG-UHFFFAOYSA-N
ID: 122905
SMILES:O1c2cc(CCCCC)cc(O)c2C(O)C(C(C)=C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.052
InChIKey:IOZLAZHQBNVTNS-UHFFFAOYSA-N
ID: 122906
SMILES:C1C2(C)Oc3cc(C)cc(O)c3C2C=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.29
CB1 binding score: -18.454
InChIKey:NQQISAFVFMDRHX-UHFFFAOYSA-N
ID: 122907
SMILES:c12c(cc(CCCCC)cc1OC)OC(CCC=C(C=C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.562
InChIKey:GJHATAOOLDQGKB-UHFFFAOYSA-N
ID: 122908
SMILES:c1c(O)ccc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 122909
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 122910
SMILES:C1C2(C)Oc3c(CCCCC)cc(O)cc3OC2CC(C)=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -11.977
InChIKey:GRRGUABAKUMNKB-UHFFFAOYSA-N
ID: 122911
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C=Cc1cc(O)c(O)cc1
Pathway: Polyketides;Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.495
CB1 binding score: -15.395
InChIKey:BZANQNGAZNKJIR-UHFFFAOYSA-N
ID: 122912
SMILES:CC(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)CC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -15.73
InChIKey:OGKTWBQEHVDSMM-UHFFFAOYSA-N
ID: 122913
SMILES:COc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.502
InChIKey:XWTBEORPHWBGNI-UHFFFAOYSA-N