ID: 101032
SMILES:C(Oc1cc(CCCCC)cc2c1C1C(C(C)(CCC=C(C)C)O1)CC2O)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.738
CB1 binding score: -13.711
InChIKey:BITOHJZWUPUUAV-UHFFFAOYSA-N
ID: 101033
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(CC=CC(C)(OO)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -14.991
InChIKey:LJVOAQOXIFFYHR-UHFFFAOYSA-N
ID: 101034
SMILES:c1(C23C(CCC(C)C2)C(C)CCC3C(C)C)c(O)cc(CCCCC)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.647
CB1 binding score: -16.739
InChIKey:SFAIQOURTFXMFF-UHFFFAOYSA-N
ID: 101035
SMILES:CC1(C)C2=C(c3c(cc(CCCCCNC(C)=O)cc3O)OC2)C(=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.477
CB1 binding score: -15.374
InChIKey:CBIMZVMATAFKAY-UHFFFAOYSA-N
ID: 101036
SMILES:Oc1c(CC=C(CCC=C(CC=C(C)C)C)C)cc(C(O)=O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.007
InChIKey:GAAFWNDVFMBATM-UHFFFAOYSA-N
ID: 101037
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 101038
SMILES:O1c2c(c(O)cc(C(COC(=O)CC(=O)O)C)c2)C(C)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.357
CB1 binding score: -13.988
InChIKey:PRTGOKYTIBPESH-UHFFFAOYSA-N
ID: 101039
SMILES:C1(C(=C)C)C(c2c(OC)cc(CCCCC)cc2)C=C(COC(=O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -15.929
InChIKey:ZOOBBXMSDWUTCK-UHFFFAOYSA-N
ID: 101040
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)C(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.143
InChIKey:CIVSDEYXXUHBPV-UHFFFAOYSA-N
ID: 101041
SMILES:C(CCC(C)=CCOc1cc(C=O)c(CCCCC)cc1OC(C)=O)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -17.221
InChIKey:FNSUFLVWBVXGKS-UHFFFAOYSA-N
ID: 101042
SMILES:c1(C)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1C1(c3cc(C)c(C(C)C)cc3)OC(C)(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.668
CB1 binding score: -14.608
InChIKey:ZNWNSKSKPZVNOY-UHFFFAOYSA-N
ID: 101043
SMILES:Oc1c2c(c(O)cc1CCCCC)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.339
InChIKey:DPWWYSVEFIPIFU-UHFFFAOYSA-N
ID: 101044
SMILES:C(c1c(O)cc2c(c1)OC(C)(C)c1ccc(C)c(O)c1-2)OCC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.565
CB1 binding score: -15.172
InChIKey:DMEOSIOFNMXJFJ-UHFFFAOYSA-N
ID: 101045
SMILES:O1c2c(c(O)cc(CCCCC)c2)C(C(C)=C)C2CC(C)C(=O)C(O)C12CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -13.842
InChIKey:JTQVMCARFWBEEY-UHFFFAOYSA-N
ID: 101046
SMILES:C1(C(C)(O)C)CCC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -16.374
InChIKey:PNIFUKSBUDAOME-UHFFFAOYSA-N
ID: 101047
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 101048
SMILES:C12C(CC(C)=CC1=O)c1c(cc(C)cc1)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 256.345
CB1 binding score: -17.162
InChIKey:GKADHDPZBTWXTA-UHFFFAOYSA-N
ID: 101049
SMILES:C(=C1Cc2c(O)cc(CCCCC)cc2OC1C=C(CCC=C(C)C)C)C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -12.6
InChIKey:XOXPRUOHUPSIRE-UHFFFAOYSA-N
ID: 101050
SMILES:C1(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 101051
SMILES:c1(O)cc(CCCCC)cc2c1C1CC(C)(O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 101052
SMILES:C(=C(C(O)=O)C)CCC(=CCc1c(OC)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.705
InChIKey:YKUNZXHVAIWLLV-UHFFFAOYSA-N