ID: 52543
SMILES:O(C(C)=O)C1C2C(C(C)(C)Oc3c(CCCCC)cc(OC)cc31)CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.364
InChIKey:NUVDPJQVJZVAOP-UHFFFAOYSA-N
ID: 52544
SMILES:O1c2c(cc(CCCCC)cc2O)CC(C)=CCCC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.519
InChIKey:DOUWFGKRKRMFED-UHFFFAOYSA-N
ID: 52545
SMILES:c12cc(CCCCC)ccc1OC(c1c(O)cc(O)cc1CC=C(C)C)cc2C(=O)CC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.63
CB1 binding score: -12.694
InChIKey:RFHUYTOHBDLSQJ-UHFFFAOYSA-N
ID: 52546
SMILES:O(c1c2c(ccc1O)OC(C)(C)C1CC=C(C)CC21)C(=O)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -9.416
InChIKey:PEYPTIZKPQHESS-UHFFFAOYSA-N
ID: 52547
SMILES:C12(C)CC3C(C=O)(C1CC(C)(C)C2)c1c(cc(CCCCCO)cc1O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.885
InChIKey:SACDAACOVBIFGZ-UHFFFAOYSA-N
ID: 52548
SMILES:CC(O)(C)C1Oc2c(c(O)cc(CCC)c2)C(CCCO)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.417
CB1 binding score: -16.242
InChIKey:PHQDZCHQLGGFRF-UHFFFAOYSA-N
ID: 52549
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52550
SMILES:c1(O)c2c(cc(C)c1)OC1(C)C(C(C)(C)OC2(C)C)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: Not available
InChIKey:QRQNZCWXIGPDKA-UHFFFAOYSA-N
ID: 52551
SMILES:c1(CCCC)c(C2C(C(=C)C)CCC34OC3C2OC(=O)C4(C)O)c(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -15.641
InChIKey:GXXPKPLNWWAIPY-UHFFFAOYSA-N
ID: 52552
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 52553
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 52554
SMILES:C(CCc1cc(O)c2c(c1C(=O)CCc1ccc(O)c(O)c1)OC(C)(C)C1CCC(C)=CC12)(C=C(CCC=C(C)C)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.785
CB1 binding score: -14.802
InChIKey:KGNRSZSGCBLKJO-UHFFFAOYSA-N
ID: 52555
SMILES:C(C)(C)CCCc1ccc(OC)c(C2C=C(C)CCC2C(=C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -12.731
InChIKey:RBSWLEZHEGDPGQ-UHFFFAOYSA-N
ID: 52556
SMILES:Oc1cc(CCCCC)cc(O)c1C1CC(CO)=CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.293
InChIKey:VAHUUHMSLIHMFN-UHFFFAOYSA-N
ID: 52557
SMILES:C1(C)(C)Oc2c(c3c(c(O)c2)C(C(=C)C)CCC(C)=C3)C=C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -15.039
InChIKey:KXTISLLUUGBALK-UHFFFAOYSA-N
ID: 52558
SMILES:Oc1cc(CCc2cc(O)cc(O)c2)c(O)c(O)c1C1(C)C(C)(C)C(CC=C(CCC=C(C)CO)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.698
CB1 binding score: -16.914
InChIKey:IMLSMYDMLCRXAB-UHFFFAOYSA-N
ID: 52559
SMILES:C(CCC)Cc1cc(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: 52560
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2ccc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 52561
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(c(CC=C(CCC=C(C)C)C)cc(O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.614
InChIKey:OUSSCCYXTDRNBG-UHFFFAOYSA-N
ID: 52562
SMILES:CC(=CCC(O)C(CCCC(C)=CCc1c(O)cc(C)c(O)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.65
InChIKey:BSSIIMLQTPBUGK-UHFFFAOYSA-N
ID: 52563
SMILES:C1C(=O)C(C=O)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C(O)C2C(C)(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -15.39
InChIKey:QGYIKLDZQAMZCW-UHFFFAOYSA-N