ID: 95446
SMILES:c1(CCC)c(O)c2c(cc1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -13.305
InChIKey:GHEZXPZIUAYYPC-UHFFFAOYSA-N
ID: 95447
SMILES:c12c(OC)cc(CCCC)cc1OC1(C)CC3C(=C(C)CC1O2)C(=O)C(O)=C(C)C3=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.509
CB1 binding score: -14.462
InChIKey:DOGAYIKNBQFGJH-UHFFFAOYSA-N
ID: 95448
SMILES:O=C1c2c(CCCC)cc(O)cc2OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -14.859
InChIKey:SQRYSMRWFXZMTC-UHFFFAOYSA-N
ID: 95449
SMILES:OCC1=CC2c3cc(c(C)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.267
InChIKey:BURVELHVUAGYNC-UHFFFAOYSA-N
ID: 95450
SMILES:CC1(C)Oc2cc(CCCCC)c(O)cc2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 95451
SMILES:C1C(C)C2=CC(C)CCC2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -14.332
InChIKey:FAEFEHHUNXLKOW-UHFFFAOYSA-N
ID: 95452
SMILES:C(CC)C1CC(Cc2cc(O)c(C3C(C(C)=C)CCC(C)=C3)c(O)c2)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.669
CB1 binding score: -16.788
InChIKey:ZXJHSYIWXXYIMQ-UHFFFAOYSA-N
ID: 95453
SMILES:C(Cc1cc(O)c2c(c1C(O)=O)OC(C)(C)C1C2C=C(C)CC1)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.324
InChIKey:KRONWYMYHRPROZ-UHFFFAOYSA-N
ID: 95454
SMILES:CC(CCCc1cc2c(c(OC(=O)CC)c1)CC=C(C)CCC=C(C)C2)COC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.208
InChIKey:WEFLSBDXRLTBOP-UHFFFAOYSA-N
ID: 95455
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 95456
SMILES:O=C(CC(C)C)Oc1c2c(cc(C)c1CC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -12.747
InChIKey:VLCIZVDBCGSLRJ-UHFFFAOYSA-N
ID: 95457
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 95458
SMILES:C1CC2(C)CC3c4c(O)cc(CCC)cc4OC(C)(C)C3CC2C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.185
InChIKey:KNEWLNSKYYSGMC-UHFFFAOYSA-N
ID: 95459
SMILES:O=CC1=CC2C(CC1)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -16.851
InChIKey:FXRKIMRSDZUEOO-UHFFFAOYSA-N
ID: 95460
SMILES:C(=CCC12C(C(c3c(O)c(C)cc(O)c3)=O)C(CCC(C)=CC1)C(C)(C)O2)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: Not available
InChIKey:MVOVYSNXIKRBGJ-UHFFFAOYSA-N
ID: 95461
SMILES:C(C1(C)CC(c2c(O)cc(CCCCC)cc2O)C=C(C)C(O)C1)CC=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -16.537
InChIKey:WRDHBWKOYDBMCS-UHFFFAOYSA-N
ID: 95462
SMILES:Oc1c(CCCCC)cc(O)c2c1OC1CC(C(C)(C)O)OC1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -13.003
InChIKey:BJNWCKBGBQTGRQ-UHFFFAOYSA-N
ID: 95463
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C=O)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -17.527
InChIKey:KAIPVMUFFCVRIG-UHFFFAOYSA-N
ID: 95464
SMILES:CC1(C)Oc2c(c(O)c(OC)cc2)-c2cc(O)c(C3C(C(C)=C)CCC(C)=C3)c(OC)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -13.793
InChIKey:VISWSWLMSKQDFS-UHFFFAOYSA-N
ID: 95465
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 95466
SMILES:O=C(C)CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -16.933
InChIKey:ULWBVNLWHAWKAN-UHFFFAOYSA-N