ID: 88978
SMILES:C1(C(CC(=O)O)O)CC(C(C)C)CC(c2c(O)cc(CCCCCO)cc2OC)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.562
CB1 binding score: -13.968
InChIKey:FHQFEWUQMLJEDH-UHFFFAOYSA-N
ID: 88979
SMILES:C12=CCC=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.929
InChIKey:QTVBDPTZFPXLOK-UHFFFAOYSA-N
ID: 88980
SMILES:C12C(CCC(C)=C1)C(C)(C)Oc1c2c(O)c(CC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.684
InChIKey:UMGKUBBSMWRDJD-UHFFFAOYSA-N
ID: 88981
SMILES:C1(C)CCCC2C1c1c(cc(CCCCC)c(C(OC)=O)c1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.205
InChIKey:RLJJOEWHKSXSBO-UHFFFAOYSA-N
ID: 88982
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(CCC=C(C)CO)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.346
InChIKey:POPBLMRNLSTLOC-UHFFFAOYSA-N
ID: 88983
SMILES:C(CC)(c1c2c3c(cc1O)OC1(C)CC3C(C(C)(C)O2)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.83
InChIKey:PDCRGUDRMIGBSK-UHFFFAOYSA-N
ID: 88984
SMILES:C1=C(C)CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -15.999
InChIKey:BZOQYTGALJCORX-UHFFFAOYSA-N
ID: 88985
SMILES:c1c(C)ccc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 88986
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.002
InChIKey:ITDDKOGKAGSKEJ-UHFFFAOYSA-N
ID: 88987
SMILES:O(c1c2c(cc(C)c1)OC(C)(C)C=CCC2C(OC)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -13.565
InChIKey:FAWIVXKDDZJJIK-UHFFFAOYSA-N
ID: 88988
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 88989
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 88990
SMILES:C1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 88991
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.61
InChIKey:HLLHZWVLAVQPNP-UHFFFAOYSA-N
ID: 88992
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 88993
SMILES:C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.748
InChIKey:KEBLMJFKEVAPFE-UHFFFAOYSA-N
ID: 88994
SMILES:c1(O)c(C(CC(C)C)=O)c(O)c2c(c1)OC(C)(C)C1C2C(C)(CCC=C(CN)C)C2C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 495.704
CB1 binding score: -16.655
InChIKey:HBDDFZOYSMPGJX-UHFFFAOYSA-N
ID: 88995
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)c(OC(=O)C)c2)C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.463
InChIKey:DSBVNPYZKYOSSN-UHFFFAOYSA-N
ID: 88996
SMILES:C1c2c(cc(CCCCC)cc2O)OCC(C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -17.674
InChIKey:GPPQWBGQECNZFS-UHFFFAOYSA-N
ID: 88997
SMILES:CC(C1Oc2cc(CCCCC)cc(O)c2C1)=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -18.846
InChIKey:NBVPTAKVRPHONU-UHFFFAOYSA-N
ID: 88998
SMILES:C1C2=C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)C(C)(C)C(C=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -14.947
InChIKey:KOOXVOVOHDCGKU-UHFFFAOYSA-N