ID: 109138
SMILES:C(C1C2C(CC(CO)=CC2)c2c(cc(CCCCC)cc2O)O1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.793
InChIKey:PUAOULCRZTXMND-UHFFFAOYSA-N
ID: 109139
SMILES:O(c1c(C2C(C(C)C)CCC(C)=C2)c(C(CC)O)cc(C)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 316.485
CB1 binding score: -17.203
InChIKey:IXCAUCSYCDQTOR-UHFFFAOYSA-N
ID: 109140
SMILES:C(O)(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(Oc2cc(CCCCC)cc(O)c2)cc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.575
CB1 binding score: -12.775
InChIKey:SQGKLNBZWYRQPT-UHFFFAOYSA-N
ID: 109141
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)c(O)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 109142
SMILES:C1CCC(C(C)(O)C)C2c3c(O)cc(CCC)cc3OC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.254
InChIKey:PJCBHGDDWGAUSN-UHFFFAOYSA-N
ID: 109143
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 109144
SMILES:C(CC1(C)C=Cc2c(O)cc(CCC)cc2O1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 109145
SMILES:C1(=O)C=C(C)CC(c2c(CCCC(C)(O)C)cc(O)c(CC=C(C)C)c2O)C1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.241
InChIKey:PKSCNGATPMTAAY-UHFFFAOYSA-N
ID: 109146
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 109147
SMILES:O=C1Oc2cc(CCCCC)cc(OC(=O)C)c2C2(C)CCCC(CO)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.318
InChIKey:SXVHQELYTOXXLF-UHFFFAOYSA-N
ID: 109148
SMILES:CC(OC(C)(C)CCCC(C)=CCCC1(C)Oc2c(c(C)cc(O)c2)C=C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.635
InChIKey:PIBMPPCXWLWLLF-UHFFFAOYSA-N
ID: 109149
SMILES:CC12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.862
InChIKey:YOWDLQCGROTWQQ-UHFFFAOYSA-N
ID: 109150
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(CCC=C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.598
InChIKey:LLENDDNLPXXHPV-UHFFFAOYSA-N
ID: 109151
SMILES:C(C)CC(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.237
InChIKey:KKGZGBIZOKJVGJ-UHFFFAOYSA-N
ID: 109152
SMILES:C1(C(=CCCC(C)C)C)c2c(c(O)cc(CCCCC)c2)C(=O)C(C)=C1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.581
InChIKey:SQJWVGHSVUOMSQ-UHFFFAOYSA-N
ID: 109153
SMILES:C(C(C)=CCc1c(O)cc(CCCCC)cc1O)CCC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -18.25
InChIKey:XORWRSXQGOTBKX-UHFFFAOYSA-N
ID: 109154
SMILES:c1(O)c(OC)cc(C2C=C(COC)CCC2C(C)=C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.57
InChIKey:OIUUUAKBLYGJSC-UHFFFAOYSA-N
ID: 109155
SMILES:O(C1C2(C)OC(O)C3(O)C2c2c(O)cc(CCCCC)cc2OC3(C)CC1)C(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.502
CB1 binding score: -15.407
InChIKey:MFVIRZXGMFVOTK-UHFFFAOYSA-N
ID: 109156
SMILES:C1(c2cc(O)c3c(c2)OC(C)(C)C2C3C(O)=C(C)C(O)C2)C2C(C)(CC=C(C(C)=C)O2)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.644
CB1 binding score: -15.195
InChIKey:CHWQNUBPBZMENF-UHFFFAOYSA-N
ID: 109157
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: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 109158
SMILES:O=C(c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(C)cc1OCCCC)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.39
InChIKey:YRKAKELKAUQTMP-UHFFFAOYSA-N