ID: 84190
SMILES:CCCCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.903
InChIKey:DQIJFJFAQLIKDN-UHFFFAOYSA-N
ID: 84191
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC=CCCCC)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.125
InChIKey:OLWXIIFQLMENHF-UHFFFAOYSA-N
ID: 84192
SMILES:CC1=CC2C(C(CCC=C(C)C)(C)C2)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.335
InChIKey:QXQBEEXXPAESFO-UHFFFAOYSA-N
ID: 84193
SMILES:c1c(CCCCC)cc(O)c(CC=C(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 84194
SMILES:COc1c(CCCCC)c(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.335
InChIKey:JFWXWCXCACCYCO-UHFFFAOYSA-N
ID: 84195
SMILES:c1(O)c(OC)c(CCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.847
InChIKey:GFRAVQOMDVBPPQ-UHFFFAOYSA-N
ID: 84196
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)C1OC(=O)C(C)C1CCC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.164
InChIKey:RGVHEIPYEOGBHM-UHFFFAOYSA-N
ID: 84197
SMILES:CC1(Oc2ccc(CCCCC)c(OC)c2O)C2C=C(C(C)C)CCC2(C)Oc2c(c(O)cc(CCCCC)c2Br)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 643.703
CB1 binding score: -12.672
InChIKey:HHEPOQKBLFNWTN-UHFFFAOYSA-N
ID: 84198
SMILES:C1CC2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.21
InChIKey:QATRADYGJXWTPV-UHFFFAOYSA-N
ID: 84199
SMILES:O=C1C(C)=CC(CC2C(C)(CCC3OC3(C)C)Oc3cc(C)cc(O)c3C2C(O)C(=C)C)C(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -14.794
InChIKey:KGAQGQZMAPLTNX-UHFFFAOYSA-N
ID: 84200
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC2(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.732
InChIKey:CVNLLTGBNCZGMV-UHFFFAOYSA-N
ID: 84201
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 84202
SMILES:Oc1c(CC=C(CCCC(C)(O)C)C)cc(O)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.797
InChIKey:NFGWMAIOZZMIDL-UHFFFAOYSA-N
ID: 84203
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(OC)c(C(C)=O)c(O)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -13.196
InChIKey:QDBCTLJJAXALRY-UHFFFAOYSA-N
ID: 84204
SMILES:C(CC)CCc1cc2c(c(O)c1)C1C(C1(C)C)CC1(C)C(O2)C(O)C(O)C(O)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -10.526
InChIKey:QYRIVAODKUJDLD-UHFFFAOYSA-N
ID: 84205
SMILES:C1C(C(=C)C)C(c2cc(O)c(C=O)c(C)c2)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -15.35
InChIKey:IYUXNKWUTJIHRG-UHFFFAOYSA-N
ID: 84206
SMILES:c12c(O)cc(CCCC)cc1OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.396
InChIKey:DIOBFIJBWJHIQT-UHFFFAOYSA-N
ID: 84207
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1-c1c(O)cc(CC=C(CCC=C(C)C)C)c(OC)c1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 584.841
CB1 binding score: -11.635
InChIKey:HGAQTHNQFLOVMT-UHFFFAOYSA-N
ID: 84208
SMILES:CC1(CCC=C(C)C)C=Cc2c(cc(CCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.265
InChIKey:KTPDAZGMXXWSMU-UHFFFAOYSA-N
ID: 84209
SMILES:C(CCc1cc(OC)c(C2C=C(C)CCC2C(=C)C#N)cc1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 335.491
CB1 binding score: -14.974
InChIKey:CIUNCDJTMLENQJ-UHFFFAOYSA-N
ID: 84210
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc2c3cc(OC)cc2O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -15.209
InChIKey:KJWTVNZJCUTHJA-UHFFFAOYSA-N