ID: 85156
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 85157
SMILES:c1(C=O)cc(O)c2c(c1CCCC(O)(C)C)OC(C)(C)C(O)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.579
InChIKey:ROXVHOGQCLZZSM-UHFFFAOYSA-N
ID: 85158
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 85159
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1C(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.059
InChIKey:DFDPTHLLXVCMEU-UHFFFAOYSA-N
ID: 85160
SMILES:C1=CC(C)(C)Oc2ccc(CCCCC)cc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.351
CB1 binding score: -18.42
InChIKey:HRPQXGKXIKLDMZ-UHFFFAOYSA-N
ID: 85161
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.335
InChIKey:PUTOVGFPNYEMJD-UHFFFAOYSA-N
ID: 85162
SMILES:C(CC)(O)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.259
InChIKey:ARKWVIMFIITGCA-UHFFFAOYSA-N
ID: 85163
SMILES:c12c(c(O)cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.502
InChIKey:ZWVABWHGDYDNGQ-UHFFFAOYSA-N
ID: 85164
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 85165
SMILES:Cc1c2c(cc(CCCCC)c1)C1=C(C(C)(C)O2)CCC2C(OC(=O)C)C(C)(C(C(=C)C)CC2)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.716
CB1 binding score: -16.373
InChIKey:SSJFAMRVRJSVEO-UHFFFAOYSA-N
ID: 85166
SMILES:c1(CCCCC)cc2c(c(O)c1O)C1(CC(=O)C(C)(C)O2)C2(C)CCC(C)=C(C)C2=CC(C)(O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.644
CB1 binding score: -13.764
InChIKey:QYUJECNNZZCMGK-UHFFFAOYSA-N
ID: 85167
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(OC)=O)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 85168
SMILES:O(C)C1(C)CCc2c3c(c(C(=O)CCCCC)cc2O)OC(C)(C)C2CCC(C)C123
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -13.698
InChIKey:MVRLTGVMQFZPAN-UHFFFAOYSA-N
ID: 85169
SMILES:O1CC(Cc2ccc(O)cc2O)C2C3C(O)(c4c(cc(CCCCC)cc4O)OC3(C)CCC1)CC2=C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.655
CB1 binding score: -14.435
InChIKey:BIPCDJZZPQWXIV-UHFFFAOYSA-N
ID: 85170
SMILES:c1(OC(=O)c2c(O)c3c(cc2CCCCC)OC(C)(C)CC3)cc(C)ccc1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.849
InChIKey:HBWQIWSLNKQVRD-UHFFFAOYSA-N
ID: 85171
SMILES:C1C(C)=CC(c2c(OC)ccc(CC[N+](O)(C)C)c2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 85172
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)CO2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -13.001
InChIKey:SYPBUWRRXBXRMT-UHFFFAOYSA-N
ID: 85173
SMILES:OOC(=O)Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(CCC(=O)C)C(=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -16.733
InChIKey:SNQTWCFNUBPQCE-UHFFFAOYSA-N
ID: 85174
SMILES:C(C)(=O)OCC1(C)C(OC(=O)C)CCC2(C)c3c(OCc4ccccc4)cc(C)cc3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -15.514
InChIKey:WWCWOQQSNMEEPD-UHFFFAOYSA-N
ID: 85175
SMILES:CC(CC)C(c1c(O)c(C=O)c2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -17.19
InChIKey:PCQGORPGJVHXJE-UHFFFAOYSA-N
ID: 85176
SMILES:CC(CCC(CC)C(=C)C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.98
InChIKey:SZCVOCZNUUQYFA-UHFFFAOYSA-N