ID: 82846
SMILES:C(CCC(=CCCC(=CCc1c(O)cc(CCc2ccccc2)cc1O)C)C)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -19.13
InChIKey:IWSASXREQYAISF-UHFFFAOYSA-N
ID: 82847
SMILES:c1(OCCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)cc1CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.653
InChIKey:MXKDQAHAWHGGJV-UHFFFAOYSA-N
ID: 82848
SMILES:O(CCNC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 317.429
CB1 binding score: -16.892
InChIKey:NOGOLJIPNBBHLZ-UHFFFAOYSA-N
ID: 82849
SMILES:CC(C)=CCc1c(O)cc(C)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 326.48
CB1 binding score: -16.669
InChIKey:IZIAUPHIRHXYSM-UHFFFAOYSA-N
ID: 82850
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 82851
SMILES:C1(CO)C(O)C(O)C(O)C(Oc2cc(CCCCC)cc3c2C=CC(C)(CCC=C(C)C)O3)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -16.655
InChIKey:FIALLSBOEZLCDU-UHFFFAOYSA-N
ID: 82852
SMILES:C1(CCC=C(CO)C)(C)CCOc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.717
InChIKey:SQVWYOGFNZMAOG-UHFFFAOYSA-N
ID: 82853
SMILES:CC(C(=O)c1c(O)c2c(cc1C(OC)CO)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.788
InChIKey:JYCNQMTYZKZCBK-UHFFFAOYSA-N
ID: 82854
SMILES:C12C3(C)C(C(O)c4c(O)c(C)cc(c43)OC1(C)C)C(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.826
InChIKey:KDTJOVJPIZHIDB-UHFFFAOYSA-N
ID: 82855
SMILES:C(C)(C)C(CC)C(c1cc2c(c(O)c1)CC1(O2)C(C)(C)CCCC1=C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.21
InChIKey:ZHFUVEATFHNPKN-UHFFFAOYSA-N
ID: 82856
SMILES:c1(C2CC=C(CCC=C(CCC(=O)O)C)C(O)C2)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.322
InChIKey:DCOPYAVEBYVIFS-UHFFFAOYSA-N
ID: 82857
SMILES:c1cc(O)cc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 82858
SMILES:C(O)CC(c1c2c(c(O)cc1C)C1CC(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.543
InChIKey:RNXHIBMRVSASEL-UHFFFAOYSA-N
ID: 82859
SMILES:C1(O)C(C)=CC2C(C1)C(C)(C)Oc1cc(C)c(Br)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -16.943
InChIKey:GKXQRIXPBITGTJ-UHFFFAOYSA-N
ID: 82860
SMILES:OC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)C(C(C)C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -14.8
InChIKey:HBGVCLFIQROZRU-UHFFFAOYSA-N
ID: 82861
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(=O)C12CC(C(C)(O)C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -13.924
InChIKey:QVEKJCLJZDECCH-UHFFFAOYSA-N
ID: 82862
SMILES:C(CCc1cc2c(c(OC)c1)CC(C(C)=C)CC2)(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -13.22
InChIKey:ITVGMVHTVIBPGE-UHFFFAOYSA-N
ID: 82863
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 82864
SMILES:OC(c1c(O)c2c(cc1C)OC(C)(C)C1CC=C(C)CC12)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -18.497
InChIKey:AOGTXMDLNOSZCC-UHFFFAOYSA-N
ID: 82865
SMILES:OC(C)(C)C1=CCC(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.624
InChIKey:XIXNDBDXWDOZJU-UHFFFAOYSA-N
ID: 82866
SMILES:C1(C)=CCCC2=CC(OC2=O)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.827
InChIKey:HKSWTYMJILTOFG-UHFFFAOYSA-N