ID: 33076
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 33077
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 33078
SMILES:O1C(C)C(C)=CC(c2ccc(CCCCCC)cc2)C(C(=CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.643
CB1 binding score: -13.249
InChIKey:OZFLGRFOFJDOBP-UHFFFAOYSA-N
ID: 33079
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(O)(C)C3CC3(O)C(C)(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.687
InChIKey:FFIAWHDJFRUXEP-UHFFFAOYSA-N
ID: 33080
SMILES:C12C(C)(O)CCC1C(C)(C)Oc1cc(CCCCC)cc(OC)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.782
InChIKey:CFJOFYMFLMHFLW-UHFFFAOYSA-N
ID: 33081
SMILES:Oc1c(C(=O)C(CC)C)c2c(c(C=O)c1O)OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.98
InChIKey:IKUGFADMQURVDU-UHFFFAOYSA-N
ID: 33082
SMILES:C1(=O)C2(c3c(OC)cc(CCCCC)cc3O2)C(=C(C)C)CCC1(C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.481
InChIKey:ULLRSEOYTNOLQL-UHFFFAOYSA-N
ID: 33083
SMILES:c1(CCCCO)cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(O)C(O)C1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.475
CB1 binding score: -15.068
InChIKey:DVFIFEGTVRAKGH-UHFFFAOYSA-N
ID: 33084
SMILES:Cc1c(-c2c(C)ccc(C(C)C)c2)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 390.567
CB1 binding score: -14.811
InChIKey:AYFFSODWWHZUHZ-UHFFFAOYSA-N
ID: 33085
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C)ccc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 33086
SMILES:OC1C(O)C(O)C(CO)OC1Oc1c(O)c2c(cc1CCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.555
CB1 binding score: Not available
InChIKey:UAUHMLFWWUVBGJ-UHFFFAOYSA-N
ID: 33087
SMILES:C1C2c3c(cc(CCCCC)cc3)OC(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.515
InChIKey:BYIOERCQWYRJAJ-UHFFFAOYSA-N
ID: 33088
SMILES:CC(=CC(=O)C=C(C)C)c1c(O)cc(C)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -17.123
InChIKey:JLZJRDIXVHYXEU-UHFFFAOYSA-N
ID: 33089
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(CC=C(C)CCCC(C)(C)O)OC2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.869
InChIKey:YUWQZBPCKVKATF-UHFFFAOYSA-N
ID: 33090
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(CCC=C(C)C)O2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.828
InChIKey:VWVYPBSOQKGBDL-UHFFFAOYSA-N
ID: 33091
SMILES:C(CCC(=CCCC(=CCc1c(O)cc(C)cc1O)C)C)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 330.468
CB1 binding score: -16.238
InChIKey:TXWCSZHKDSRAPV-UHFFFAOYSA-N
ID: 33092
SMILES:C1(C)(C)C2C(C=C(C)CC2)c2c(ccc(C(=O)C)c2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -18.637
InChIKey:CSSBWYMQRRNADD-UHFFFAOYSA-N
ID: 33093
SMILES:COc1c(C(C)C)cc2c(c1O)C1(CC(=O)CC(C)(C)O1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.132
InChIKey:OPRKCKDQWCJBLE-UHFFFAOYSA-N
ID: 33094
SMILES:c12cc(O)c(C)c(C=C)c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.442
InChIKey:ACQGUTCEUATRMP-UHFFFAOYSA-N
ID: 33095
SMILES:C12OCC3(c4c(O)cc(CCC(=O)C=CCCC)cc4OC(C)(C)C13)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.194
InChIKey:QUWNFVFJKJYBGX-UHFFFAOYSA-N
ID: 33096
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(O1)C(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.828
InChIKey:VWVYPBSOQKGBDL-UHFFFAOYSA-N