ID: 32110
SMILES:c1(C)cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(CO)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.296
InChIKey:VDFPGOHCLBXAJM-UHFFFAOYSA-N
ID: 32111
SMILES:CC1(C)CC(O)CC2(C)Oc3c(c(O)cc(CCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.92
InChIKey:GVBDABRQQUNLQC-UHFFFAOYSA-N
ID: 32112
SMILES:CC(N=C=S)CNc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC(C)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.544
CB1 binding score: -13.396
InChIKey:LNJWXYIKRISAIL-UHFFFAOYSA-N
ID: 32113
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 32114
SMILES:c1(O)c(C(=O)C(CC)C)c(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -14.001
InChIKey:UDGOLHGPWFUSGH-UHFFFAOYSA-N
ID: 32115
SMILES:CC1(C)Oc2c(cc(O)c(C)c2)C2C1CC(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 260.333
CB1 binding score: -16.711
InChIKey:LJUHFIJCQHDPDC-UHFFFAOYSA-N
ID: 32116
SMILES:O=C(c1cccc2c1C1C=C(COC(=O)C)C(O)CC1C(C)(C)O2)C(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: Not available
InChIKey:UOSVFLHDTPNUJK-UHFFFAOYSA-N
ID: 32117
SMILES:C(=CCc1c(O)cc(CCCCCCCC)cc1O)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -16.264
InChIKey:MJOKGZSLSNZAJG-UHFFFAOYSA-N
ID: 32118
SMILES:C1C23c4c(cc(CCCCC)cc4O)OC1(C)C(C)C(O2)C3OC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.32
InChIKey:NIFJROPVIAUQGG-UHFFFAOYSA-N
ID: 32119
SMILES:OC12c3c(cc(CCCCC)cc3O)OC(C)(C1(C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -13.39
InChIKey:FEYGPAINQPTPTN-UHFFFAOYSA-N
ID: 32120
SMILES:C12(O)CC3c4c(O)cc(CCCCC)cc4OC(C)(C)C3CC1C(C)(O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -13.367
InChIKey:URRBZVXQDDFJAF-UHFFFAOYSA-N
ID: 32121
SMILES:CC1C2(Oc3c(c(O)cc(CC)c3)C2)C(C)(C)C(=O)C(C(C(C(CC)C)O)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.05
InChIKey:IYLGBYQUHYQQHD-UHFFFAOYSA-N
ID: 32122
SMILES:C1(O)C(O)C(O)C(CO)OC1Oc1cc(O)c(C(=O)C(C)CC)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.592
CB1 binding score: -14.295
InChIKey:QWQNVNRXCUITTD-UHFFFAOYSA-N
ID: 32123
SMILES:C1C2C1C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.293
InChIKey:KBUPBUGUNWQQSV-UHFFFAOYSA-N
ID: 32124
SMILES:Cc1cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.176
InChIKey:SCKBYPQUVQGVFF-UHFFFAOYSA-N
ID: 32125
SMILES:c1c(CCCCC)c(O)c(C(=O)CC(C)C)c2c1OC1(C)CCC(C(C)C)=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.256
InChIKey:IFTWSOIOSGOVDG-UHFFFAOYSA-N
ID: 32126
SMILES:C(C=C(CCC=C(CCC=C(C)C)C)C)c1c(O)cc(CCc2ccc(OC)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -17.255
InChIKey:YPINPZLDNYDUJE-UHFFFAOYSA-N
ID: 32127
SMILES:C(CCC=C(C)C)(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 32128
SMILES:Oc1c2c(c3c(c1)C(C)(C)CCC3)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -15.844
InChIKey:XOUQUABHVRUAFA-UHFFFAOYSA-N
ID: 32129
SMILES:C1C(O)C(=O)C2(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C1C32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.847
InChIKey:VYEHQUOXJNJQHU-UHFFFAOYSA-N
ID: 32130
SMILES:c12c(cc(CCCCC)c(C(=O)O)c1O)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.467
InChIKey:KSAFPPBVVHMLQY-UHFFFAOYSA-N