ID: 85093
SMILES:C(OC(=O)C)C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C)=O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -16.381
InChIKey:KNTUHLMBUCFIJF-UHFFFAOYSA-N
ID: 85094
SMILES:C1CC2(C)Oc3c(c(OC(=O)C)cc(CCCCCCCC)c3)C3C2C(C(C)C)CCC3(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.705
CB1 binding score: -16.86
InChIKey:UFTHVCXGJMQEKS-UHFFFAOYSA-N
ID: 85095
SMILES:C(C1(C)Oc2c(c(C(=O)c3ccccc3)c3c(c2O)OC(C)(C)C2C3C=C(C)CC2)C1)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.652
CB1 binding score: -14.305
InChIKey:MFEDKUPCBGMJNM-UHFFFAOYSA-N
ID: 85096
SMILES:C(C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(CO)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.196
InChIKey:HQWTZGLRGCSGTB-UHFFFAOYSA-N
ID: 85097
SMILES:C(CC1(C)Oc2cc(C)cc(O)c2C2C1CC=C(C)C2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 312.453
CB1 binding score: -14.364
InChIKey:AHVWKMBJBBBDAK-UHFFFAOYSA-N
ID: 85098
SMILES:c1(CCCCC)cc2c(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: 85099
SMILES:C1C(C(O)(C)CO)C(c2c(O)cc(CCCCC)cc2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.434
InChIKey:SULGRRVWRHMIEH-UHFFFAOYSA-N
ID: 85100
SMILES:C(C)(O)(C1CCC(C)=CC1c1cc(CCCCC)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -16.957
InChIKey:ZWKXGAZFTWCMFB-UHFFFAOYSA-N
ID: 85101
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(=C)C)CCC1(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.124
InChIKey:NXBHMPBIXDWBNG-UHFFFAOYSA-N
ID: 85102
SMILES:c12c(c(O)cc(CCCC)c1)C1C(CCC2=O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -14.806
InChIKey:HYZDXRHNSGMGRG-UHFFFAOYSA-N
ID: 85103
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCCC)c3)C3OC(=O)C(=C1)C32
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -12.583
InChIKey:KQCTUHPAVAKBSS-UHFFFAOYSA-N
ID: 85104
SMILES:C(CC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 85105
SMILES:C(C(O)(C)C)=CC(O)C(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.3
InChIKey:CLKGBKHSRYULDX-UHFFFAOYSA-N
ID: 85106
SMILES:Cc1c2c(c(O)c(-c3ccccc3)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.459
CB1 binding score: -14.701
InChIKey:UGEBSOMZCLZQIY-UHFFFAOYSA-N
ID: 85107
SMILES:C(C(O)C1(C)C(c2c(O)cc(CCCCC)cc2O)O1)CC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.929
InChIKey:ZRWUVFPVOCRJSM-UHFFFAOYSA-N
ID: 85108
SMILES:C(Cc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2)(C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -14.738
InChIKey:VXYJTYDRDPLODK-UHFFFAOYSA-N
ID: 85109
SMILES:C(C)C(=O)C1=C(c2cc(O)c(C3C=C(C(C)C)CCC3(O)C)c3c2c(O)cc(C(C)(CCC=C(C)C)C)c3)CC(C(C)=C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 612.895
CB1 binding score: -17.297
InChIKey:QPNBTTSALNHQID-UHFFFAOYSA-N
ID: 85110
SMILES:O(C(C)=O)CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -16.512
InChIKey:VVGKJYWKBQPUEW-UHFFFAOYSA-N
ID: 85111
SMILES:c1(CCCCC)cc2c(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: 85112
SMILES:O=C1C(C)(C)Oc2c1c(O)c(CCC(C)=CC1C=C(CCC=C(C)COC(C)=O)C3C(CC1C)c1cc(C)cc(O)c13)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 630.822
CB1 binding score: -13.39
InChIKey:BIZOULXIWFGYNL-UHFFFAOYSA-N
ID: 85113
SMILES:c1c(O)c(C)cc2c1C(C)(C)Oc1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -17.07
InChIKey:XSFSOIXTLKANRY-UHFFFAOYSA-N