ID: 94648
SMILES:C(c1c(O)cc(CCCCC)cc1O)=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.313
InChIKey:RZTPKEWZQHLMRT-UHFFFAOYSA-N
ID: 94649
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C1)C(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -12.766
InChIKey:WJZDUELSYDLWSL-UHFFFAOYSA-N
ID: 94650
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C(OC)C(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.875
InChIKey:GICIZNOVGPJNRV-UHFFFAOYSA-N
ID: 94651
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC12)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.83
InChIKey:VDEKBXJFUMTFOK-UHFFFAOYSA-N
ID: 94652
SMILES:c1c(CCCCC)cc2c(c1O)CC(c1ccc(O)cc1O)C1(C=O)CC(O)COC1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.508
CB1 binding score: -16.502
InChIKey:HMJAEVJEHRTYDL-UHFFFAOYSA-N
ID: 94653
SMILES:C1C(C)=CCC2C(C)(C)Oc3c(cc(C(=O)O)cc3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.038
InChIKey:UUOAKXZPWRBWNL-UHFFFAOYSA-N
ID: 94654
SMILES:CCC(C)C(=O)OC1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.431
InChIKey:GQLDTMZUWDJJRO-UHFFFAOYSA-N
ID: 94655
SMILES:CC(=CCc1c(O)c(CC=C(CCC=C(C)C)C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 94656
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 94657
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C(C(C)C)(CC3)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.959
InChIKey:VBFCUBLTOHULJP-UHFFFAOYSA-N
ID: 94658
SMILES:Oc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -17.53
InChIKey:ANOJWXNQVPAHHR-UHFFFAOYSA-N
ID: 94659
SMILES:C1=C(C(=O)OC)CCC2C(C)(C)Oc3cc(CCCCC)c(OC)cc3C2=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.861
InChIKey:QFDPBDWGXDOPAR-UHFFFAOYSA-N
ID: 94660
SMILES:Oc1c(CC=C(C)C)c(CCCCC)cc2c1C1C=C(C)CCC1C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.851
InChIKey:BYQRHLCFMZVZAB-UHFFFAOYSA-N
ID: 94661
SMILES:C12C(C)(C3C(C1)Oc1c3c(O)cc(CCCCC)c1)C(O)C(C)C1CCC(C)(C)C12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -17.525
InChIKey:GYDHWOMRKKLHSR-UHFFFAOYSA-N
ID: 94662
SMILES:C(CC=C(C)C)C1(C)C(O)Cc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 94663
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)c(O)cc32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 94664
SMILES:Oc1cc(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 94665
SMILES:C(CCCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)CCc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -14.812
InChIKey:RVNBQHPVMUFAEM-UHFFFAOYSA-N
ID: 94666
SMILES:c12c(cc(CCCCC)cc1O)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: 94667
SMILES:Oc1cc(CCCCC)cc2c1-c1c(c(O)cc(C(C)(C)CCCCC)c1)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -16.124
InChIKey:VLPJHRIEQGSFOC-UHFFFAOYSA-N
ID: 94668
SMILES:Oc1c(C(C)(C)C=C)ccc(COc2cc(CCCCC)c3cc(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c(O)c3c2O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 640.905
CB1 binding score: -17.434
InChIKey:GQTJXQQWQRLQIP-UHFFFAOYSA-N