ID: 112288
SMILES:O(c1c(OC)c2c(cc1CCCC)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.394
InChIKey:URRRXLDIQXPYPX-UHFFFAOYSA-N
ID: 112289
SMILES:O(C1=CC(=O)C(=O)C2=C1OC1C2(COC(=O)CC(C)C)OC1=COc1c2c(cc(CCCCC)c1)C1C=C(C)CCC1C(C)(C)O2)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 674.787
CB1 binding score: -18.571
InChIKey:ACPVOZGHMNCSOB-UHFFFAOYSA-N
ID: 112290
SMILES:O=C(C=C(C)C)Oc1cc(CO)c(O)c(C2C=C(C)CCC2C(=C)C)c1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -16.327
InChIKey:UTFDDUQJESSLFD-UHFFFAOYSA-N
ID: 112291
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 112292
SMILES:CC(=CCCC1(C)C=Cc2c(OC)cc(C)cc2O1)CCC1C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.169
InChIKey:HNNGZSSYAJMAEV-UHFFFAOYSA-N
ID: 112293
SMILES:C(c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1)C(=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.419
InChIKey:XGOHXCGDBSWDLD-UHFFFAOYSA-N
ID: 112294
SMILES:c1(C#CC(=C)C)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 308.421
CB1 binding score: -15.93
InChIKey:APOUVKFAWMTTLH-UHFFFAOYSA-N
ID: 112295
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2CC(=C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.009
InChIKey:AHNDOCSOZYPQHA-UHFFFAOYSA-N
ID: 112296
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c(C(=O)O)c(CCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.103
InChIKey:SXCOOJULXPFAMI-UHFFFAOYSA-N
ID: 112297
SMILES:C1C2(C)Oc3cc(C(CCCCC)C)cc(O)c3C=CC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.185
InChIKey:BTDSGICLDUHOGQ-UHFFFAOYSA-N
ID: 112298
SMILES:O(c1c(C2C=C(C)CCC2C(C)=C)c(O)c2c(c1)OC(C)(C)C=C2)C(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -15.552
InChIKey:UEDBAFZULFWKHI-UHFFFAOYSA-N
ID: 112299
SMILES:C(CCC)c1cc(OC)c(O)c2c1OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -16.932
InChIKey:HZVVAYYVKCHPJZ-UHFFFAOYSA-N
ID: 112300
SMILES:C(C)CCc1cc(O)c(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.234
InChIKey:BBAZSSVVFFAFBY-UHFFFAOYSA-N
ID: 112301
SMILES:O=c1c(OC)c2c(cc(OC)c1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.934
InChIKey:TTWUYVBLOLLKCW-UHFFFAOYSA-N
ID: 112302
SMILES:C(CCc1cc2c(c(O)c1)C1C(C(C)=CCC1C(C)C)CC(C)(C)O2)(c1c(O)cc(C)cc1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -15.068
InChIKey:COVRGUCWFORCHF-UHFFFAOYSA-N
ID: 112303
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 112304
SMILES:OC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.294
InChIKey:UKSGTUDYNGZBRM-UHFFFAOYSA-N
ID: 112305
SMILES:c12c(cc(CCCCC)cc1O)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 112306
SMILES:C(CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 112307
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)ccc2C(OC)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -11.814
InChIKey:GNBUTMJWYSYVMI-UHFFFAOYSA-N
ID: 112308
SMILES:C12C=C(C(O)=O)CCC1C(C)(C)Oc1c2cc(O)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 288.343
CB1 binding score: -17.196
InChIKey:JQKMXCOKTFPPAA-UHFFFAOYSA-N