ID: 42988
SMILES:C(C(O)C(C)(C)O)CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.027
InChIKey:OUTRGWXEUFFSJT-UHFFFAOYSA-N
ID: 42989
SMILES:CC(O)(C1CCC2(C)C1CCC1(C)C(Cc3c(O)cc(CCCC)cc3O1)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.582
InChIKey:XBDQBWSDQPXDLW-UHFFFAOYSA-N
ID: 42990
SMILES:C(C1C(C)(C)Oc2cc(CCC)cc(O)c21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.089
InChIKey:VPSYPMIPIAFMMW-UHFFFAOYSA-N
ID: 42991
SMILES:C(C(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21)C=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -13.522
InChIKey:YUZZCGVIFHZVTC-UHFFFAOYSA-N
ID: 42992
SMILES:c12c(Cl)c(CCCCC)cc(O)c1OC1(C(=C)CCCC1(C)C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.924
CB1 binding score: -15.633
InChIKey:GLYRMWMIRPBYBO-UHFFFAOYSA-N
ID: 42993
SMILES:C(CCCC)Cc1cc(O)c(C2C(C(C)=C)CC(C(=C)C)CC2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.551
CB1 binding score: -11.595
InChIKey:AYVPJSVOILSLPT-UHFFFAOYSA-N
ID: 42994
SMILES:C(CCC(=CCc1c2c(c(O)cc1C)C(C)(C)C1C2CC(C)=CC1)C)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.6
CB1 binding score: -12.072
InChIKey:OUIRDRONIGZNPU-UHFFFAOYSA-N
ID: 42995
SMILES:C12CC(C)C(C)CC1c1c(O)c(C(OC)=O)c(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.805
InChIKey:WONAZUPFINNOCU-UHFFFAOYSA-N
ID: 42996
SMILES:C1=C2C(=C(C)C3(CC3)c3c(cc(CCCCC)cc3)O2)C(C1)C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.519
CB1 binding score: -16.791
InChIKey:MHFDRRWSUOPVMH-UHFFFAOYSA-N
ID: 42997
SMILES:CCCCCc1cc(OC(=O)C)c(C2C(C(C)=C)CC(C)(C)C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -16.643
InChIKey:DPHKLHRPLBIQHP-UHFFFAOYSA-N
ID: 42998
SMILES:C12C(c3c(cc(CCC)cc3O)OC1(C)C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.295
CB1 binding score: -18.235
InChIKey:DFKUIRMHMXKBMJ-UHFFFAOYSA-N
ID: 42999
SMILES:C1(C)CCCC2(C(C)C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.401
InChIKey:ZPNVOOLPTKEVTB-UHFFFAOYSA-N
ID: 43000
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 43001
SMILES:CC12C(C)=CCC1C(C)(C)Oc1ccccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -16.13
InChIKey:GRKWOQBWMBKHPC-UHFFFAOYSA-N
ID: 43002
SMILES:CCCCCc1cc2c(c(O)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.028
InChIKey:BNDLCGBREIIGHD-UHFFFAOYSA-N
ID: 43003
SMILES:C1CCC(C)(C)C(Cc2c(O)cc(CCCCC)cc2O)=C1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.528
InChIKey:AHBZDRAOLACXAT-UHFFFAOYSA-N
ID: 43004
SMILES:C(CCCC)c1cc(OC)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 43005
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 43006
SMILES:c1(CCCC)cc(O)c(C2C(C(O)(C)C)OCC2O)c(O)c1C=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.4
CB1 binding score: -12.006
InChIKey:OFRKIBOYEKMFLU-UHFFFAOYSA-N
ID: 43007
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C1(C)CCC2C(COC(=O)CC(=O)C)=CC=CC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -16.614
InChIKey:IBXBFAMXJOKXLO-UHFFFAOYSA-N
ID: 43008
SMILES:C(CCCC)CCCc1cc(C(O)=O)c(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -12.446
InChIKey:XHMSSCXDWWGBPY-UHFFFAOYSA-N