ID: 106177
SMILES:C(Cc1c(OC)c(OC)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -13.111
InChIKey:HYXPRLWCRGWZGJ-UHFFFAOYSA-N
ID: 106178
SMILES:C=C(C1CCC(C)(C2COC(=O)C2)C(C)(C)O1)CCc1cc(OC)cc(C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -12.424
InChIKey:FDOXBGQDHSCQFW-UHFFFAOYSA-N
ID: 106179
SMILES:C(CCc1cc(O)c2c(c1)OC1(C(CCC(=C)C)C(C)C2)C(=O)OC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.288
InChIKey:GIAZSNPUIXXSNN-UHFFFAOYSA-N
ID: 106180
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(C(=O)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.312
InChIKey:NYNGMLILQXZDIH-UHFFFAOYSA-N
ID: 106181
SMILES:CC1(O)CCC2C(C)(C)Oc3cc(C)c(O)cc3C2C1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 306.402
CB1 binding score: -16.193
InChIKey:ONTMGCVQLDWJGP-UHFFFAOYSA-N
ID: 106182
SMILES:c12ccc(O)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -18.541
InChIKey:DXDRGIVLXHOGHC-UHFFFAOYSA-N
ID: 106183
SMILES:C1(C(OCC)=O)C(O)c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -14.498
InChIKey:UIRRRQLUZQAOKN-UHFFFAOYSA-N
ID: 106184
SMILES:C1CC2(C)Oc3cc(CCCCC)cc(O)c3CC2C(=C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.298
InChIKey:VMGJWWSNZOSZFK-UHFFFAOYSA-N
ID: 106185
SMILES:CC(=CCCC(=CCc1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -15.706
InChIKey:ORYKBVQNHWOULD-UHFFFAOYSA-N
ID: 106186
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)CCC=C(C)C)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.611
InChIKey:YQJKWUZSSSIFFN-UHFFFAOYSA-N
ID: 106187
SMILES:c1c(CCCCC)cc2c(c1O)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -17.512
InChIKey:MHSYVZRTKSNMPN-UHFFFAOYSA-N
ID: 106188
SMILES:C(CC)CCc1cc2c(c(O)c1)C1CC(C(C)=C)CCC1(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -15.995
InChIKey:RSDHQXJMEYXAOW-UHFFFAOYSA-N
ID: 106189
SMILES:C12(C)C(C)(C(C)CCC2Br)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.5
CB1 binding score: -12.523
InChIKey:STUSAMRBXNWKRF-UHFFFAOYSA-N
ID: 106190
SMILES:CC(C1CCC(C)=CC1c1cc(CCCCC)cc(O)c1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.107
InChIKey:AKCTZOKCVCWTGX-UHFFFAOYSA-N
ID: 106191
SMILES:c1c(-c2c(CCCCC)cc3c(c2)OC(C)(C)C3C)c(=O)c(CC)c(O)c(O)c1C(CC(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -14.874
InChIKey:SMWHUQZFEMHGHH-UHFFFAOYSA-N
ID: 106192
SMILES:CC1=CCC2C(C1)c1c(cc(CCCCC)cc1OC(=O)C(C)C)OC(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -18.023
InChIKey:BWHTYBSPIUVALE-UHFFFAOYSA-N
ID: 106193
SMILES:O=C1C2(c3c(cc(CCC)cc3O)OC2)C(=C(C)C)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.234
InChIKey:JMMKIYMXTUVDOT-UHFFFAOYSA-N
ID: 106194
SMILES:Oc1c(C2C=C(CCC=C(C)C)CC(C)=CC2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.067
InChIKey:KYQHOCPTWBAYKJ-UHFFFAOYSA-N
ID: 106195
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(CO)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.217
InChIKey:CDRFZBUEDJQVPF-UHFFFAOYSA-N
ID: 106196
SMILES:C(C)(CCCc1cc2c(c(O)c1)CC1C(C)(O2)CCCC1(C)C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -15.228
InChIKey:QIPPRUUQLSAARV-UHFFFAOYSA-N
ID: 106197
SMILES:C12C(C)(C)Oc3c(cc(O)c(C)c3)C1C2C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.306
CB1 binding score: -15.787
InChIKey:HMQNYOWLKAFUFE-UHFFFAOYSA-N