ID: 95047
SMILES:C1CC(C)=CC(c2c(O)c(Br)ccc2O)C1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -18.01
InChIKey:FOOQBXXKGWQWON-UHFFFAOYSA-N
ID: 95048
SMILES:C1C2(CC3C4C(=CC3=O)C3(O)Oc5cc(C)cc(O)c5C3C2(C(=O)O)C(C(C(C)=CC)C)C4)C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.611
CB1 binding score: -15.62
InChIKey:YMGXVACPHSQHQX-UHFFFAOYSA-N
ID: 95049
SMILES:c1(CCCCC)c(C(=O)c2ccccc2O)c(O)c2c(c1)cc1c(c2)OC(C)(C)C2CCC(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.625
CB1 binding score: -16.502
InChIKey:LVZJQRYJCDYVJD-UHFFFAOYSA-N
ID: 95050
SMILES:C(C)(=CCCC(C)=CCc1c(O)c(CC=C(C)C)cc(O)c1)CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.846
InChIKey:XCFMIWIAGQOTGF-UHFFFAOYSA-N
ID: 95051
SMILES:C1(C)=CC(c2c(O)ccc(CCCCC)c2)C(C(CCC=C(C)C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.591
InChIKey:QPTVTJCMQJKJEN-UHFFFAOYSA-N
ID: 95052
SMILES:C1(C)=CC(c2c(O)c(C(=O)O)c(CCCCC)cc2O)C(C(O)(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -20.199
InChIKey:PHDULIYGTSDYKQ-UHFFFAOYSA-N
ID: 95053
SMILES:OC(C(C)=CCc1c(O)cc(CCC)cc1O)CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.172
InChIKey:LORJZFSTSFQWBQ-UHFFFAOYSA-N
ID: 95054
SMILES:O(C(C)=O)C(C(C)(C)O)CCC1(c2ccc(C)cc2O)OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -14.518
InChIKey:AQAIHWJNZOWCSE-UHFFFAOYSA-N
ID: 95055
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(OCc4ccccc4)=O)cc3O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.467
CB1 binding score: -13.276
InChIKey:LCWAFKNCESJGFU-UHFFFAOYSA-N
ID: 95056
SMILES:c1c(C(c2c(O)c3c(cc2CCCCC)OC(C)(C)C2C3C=C(C)CC2)C(C)C)c(O)c(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.701
CB1 binding score: -14.523
InChIKey:RDXLGLSVDUOQBC-UHFFFAOYSA-N
ID: 95057
SMILES:C1(C(=C)C)CCC(O)(C)C2Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 95058
SMILES:Oc1cc(C(=O)CCCCC)cc2c1C1C(O)C(C)(O2)CCC1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.678
InChIKey:ADATYSKASPDDDX-UHFFFAOYSA-N
ID: 95059
SMILES:C1C(CC(=O)C=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.977
InChIKey:LBRBYEZYSUSCKH-UHFFFAOYSA-N
ID: 95060
SMILES:c1(Br)c(=O)c(Cl)c(O)cc2c1OC(CCC=C(C)C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.804
CB1 binding score: -11.362
InChIKey:VVUAQXXSVMFMBB-UHFFFAOYSA-N
ID: 95061
SMILES:CC(C)=CCC1C(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.191
InChIKey:MGLWJJVAJQPDLK-UHFFFAOYSA-N
ID: 95062
SMILES:CC(C1C2C(C)(CC1)Oc1c(cc(CCCCC)cc1O)CC2)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.477
InChIKey:YNVYRXCPCBBWLF-UHFFFAOYSA-N
ID: 95063
SMILES:C(c1cc(O)c2c(c1C(C)C)OC(C)(C)C1CCC(CO)=CC12)CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.449
InChIKey:DNIVQNHMQLTJGQ-UHFFFAOYSA-N
ID: 95064
SMILES:Oc1cc2c(cc1)C(C)NC1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.403
CB1 binding score: -15.926
InChIKey:LYLUQAPJKZTWGM-UHFFFAOYSA-N
ID: 95065
SMILES:C1C(c2c(O)cc(CCCCC)cc2)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -14.829
InChIKey:TZWSLWLVHJSRDF-UHFFFAOYSA-N
ID: 95066
SMILES:c1(CCCCC)ccc(C2C=C(C)CCC2C(C)(C)O)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.257
InChIKey:KETCUGMUWAEENN-UHFFFAOYSA-N
ID: 95067
SMILES:C1(C(C)C)=CCC(CO)C2C1c1c(O)cc(C)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -13.613
InChIKey:BIKFDIFRQGIANZ-UHFFFAOYSA-N