ID: 59158
SMILES:C(CCC1C(C)(C)Oc2ccc(CCCCC)cc2O1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -11.993
InChIKey:NJOJBGSRBLYRNJ-UHFFFAOYSA-N
ID: 59159
SMILES:c12cc(CCCCC)cc(O)c1C1C=C(C)CCC(C(C)=C)C1C=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -14.405
InChIKey:GYVRCSOUQPMIDL-UHFFFAOYSA-N
ID: 59160
SMILES:C12(C)CC3c4c(O)cc(CCCCC)cc4OC3(C)CCC1C(C)(C)CC(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.067
InChIKey:AXHVGRZJFCGCOA-UHFFFAOYSA-N
ID: 59161
SMILES:O1c2c(c(C(=O)O)c(CCCCC)cc2O)CC1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.749
InChIKey:YEIYJFCBDSHWFV-UHFFFAOYSA-N
ID: 59162
SMILES:c1(CCCCCC)c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.725
InChIKey:DZRJYADBMRYKMJ-UHFFFAOYSA-N
ID: 59163
SMILES:CC1(C)CCCC2(C)Oc3c(cc(CCCCC)cc3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.744
InChIKey:FIVCBXZZBODZRA-UHFFFAOYSA-N
ID: 59164
SMILES:OC(CCc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.62
InChIKey:VNTALPOCBNSDMN-UHFFFAOYSA-N
ID: 59165
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 59166
SMILES:C(CCC)c1cc(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: 59167
SMILES:Oc1c2c(cc(O)c1CC(O)O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -15.932
InChIKey:RWCKAVGISJUICF-UHFFFAOYSA-N
ID: 59168
SMILES:C1(C)=CCCC(=C)C2C(CC1)C(C)(C)Oc1c2ccc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.703
InChIKey:AQOARTDZFKUASW-UHFFFAOYSA-N
ID: 59169
SMILES:Cc1c2c(c(C(=O)C(C)C)c(O)c1)C1C(O)(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -16.166
InChIKey:IPHNKKQNKSVAKS-UHFFFAOYSA-N
ID: 59170
SMILES:C1(C2OC2)=C(C)C2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.109
InChIKey:SWSSZPKVIMQXKR-UHFFFAOYSA-N
ID: 59171
SMILES:C(CC)(CC)=Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.359
InChIKey:AVCFOIPYTMFOCR-UHFFFAOYSA-N
ID: 59172
SMILES:c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2C2OC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.224
InChIKey:ACTCJKRQVFVHEM-UHFFFAOYSA-N
ID: 59173
SMILES:O1c2cc(CCC)cc(O)c2C2=C(C)C(OC(C(C)=CC)=O)C3CC(C)(C)CC1C32CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.327
InChIKey:DOJOCLSGCLTGGS-UHFFFAOYSA-N
ID: 59174
SMILES:c1(CCC)cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.624
InChIKey:RRQVSLLVCGRJNI-UHFFFAOYSA-N
ID: 59175
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2OC)OC(CCC=C(C)C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.646
CB1 binding score: -15.98
InChIKey:CMOBHXFDVJSOCI-UHFFFAOYSA-N
ID: 59176
SMILES:S1C(C(C)(C)C)C(O)c2c(C(O)=O)c(CCCCC)cc(O)c2C1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.734
CB1 binding score: -13.905
InChIKey:UMTRQPKECMHMNL-UHFFFAOYSA-N
ID: 59177
SMILES:CC(C)CC(=O)c1cc(C)c2c(c1O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.438
InChIKey:QGUKNIPRYHAZIS-UHFFFAOYSA-N
ID: 59178
SMILES:C1(C)(C)C2(C(=O)OC)C(C)=CC1C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -16.438
InChIKey:WGIAPVUMNUWTPG-UHFFFAOYSA-N