ID: 95005
SMILES:C1C(=O)C(C)(C)C2C(c3c(O)cc(CCCC)cc3O)OC(C(=C)CC1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 372.505
CB1 binding score: -16.502
InChIKey:AMHLWISIRWVTKU-UHFFFAOYSA-N
ID: 95006
SMILES:c1(O)c2c(cc(C)c1)OC(C)(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -16.956
InChIKey:BNFRTRXUCNUZQD-UHFFFAOYSA-N
ID: 95007
SMILES:C(Cc1c(O)cc(CCC)cc1)=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.432
CB1 binding score: -17.127
InChIKey:OPXKVEGAXOYJHJ-UHFFFAOYSA-N
ID: 95008
SMILES:C1(C)=CC(c2c(O)ccc(CCCCC)c2)C(C(C)(O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.061
InChIKey:CGCPTPHNGLDUQG-UHFFFAOYSA-N
ID: 95009
SMILES:c1(CCC)cc2c(c(O)c1)C1CC(C)(CCC1C(C)(C)O)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.624
InChIKey:RRQVSLLVCGRJNI-UHFFFAOYSA-N
ID: 95010
SMILES:c1c(CCCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 95011
SMILES:CC(C=CCC1=CC(c2cc(O)c(C)cc2O)CCC(CCC=C(C)C)=C1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -14.989
InChIKey:UOOWHTSYJLTBOC-UHFFFAOYSA-N
ID: 95012
SMILES:C(CCCC)c1cc(O)c2c(c1O)C=CC(CCC=C(CCC=C(C)C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -19.761
InChIKey:YFHSUGXCKGOGEF-UHFFFAOYSA-N
ID: 95013
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2(C)C(C)=CCC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.464
InChIKey:SORXMAPIZQNQTG-UHFFFAOYSA-N
ID: 95014
SMILES:C1(C)(C=CC2(O)C(C)(C)O2)C=Cc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.203
InChIKey:LOAXMUOOYUGIQD-UHFFFAOYSA-N
ID: 95015
SMILES:c1c(CCCCC)cc2c(c1O)OC(C)(C)C1CC=C(C(O)=O)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.015
InChIKey:CVLNHJXORHOIPM-UHFFFAOYSA-N
ID: 95016
SMILES:O=C(OC(Cc1c(C)c2c(c(OC)c1)OC(C)(C)C1CC=C(C)CC21)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.561
InChIKey:DGKVMVKGBMZHBJ-UHFFFAOYSA-N
ID: 95017
SMILES:c1(O)c(C=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 95018
SMILES:Oc1c(CC=C(C)C)cc(O)cc1CC=C(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 95019
SMILES:C(CCCC)c1cc2c(c(O)c1)C1=C(C(C)(C)O2)CC(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.16
InChIKey:UEMNYIKFQICTLI-UHFFFAOYSA-N
ID: 95020
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(CCC=C(C)C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -19.572
InChIKey:KKASRYPDNSSAPZ-UHFFFAOYSA-N
ID: 95021
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(CC(C)O1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.883
InChIKey:VXWRAAYAHSOGJY-UHFFFAOYSA-N
ID: 95022
SMILES:C1C(C)=C2C(O1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.463
InChIKey:BHZWQSIVFFELLM-UHFFFAOYSA-N
ID: 95023
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 95024
SMILES:c1c(CCC(=O)C(C)=C)cc(OC)c(C2C=C(C)CCC2C(=C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -14.688
InChIKey:VCNROHADQKFTGQ-UHFFFAOYSA-N
ID: 95025
SMILES:c12cc(CCCCC)cc(O)c1C1C(=C(C)C)CCC(C)C1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.023
InChIKey:BTJOKDFPAKIEEN-UHFFFAOYSA-N