ID: 30682
SMILES:O1C(C)(C)C(CCC(C)=CCc2c(O)cc(CCC)cc2O)C(C)CCC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -12.891
InChIKey:FRIGQSSAYPYOII-UHFFFAOYSA-N
ID: 30683
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 30684
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 30685
SMILES:Oc1c(CC=C(C)C)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.155
InChIKey:PZIRWMLUKNUAIS-UHFFFAOYSA-N
ID: 30686
SMILES:C12C=C(C)CCC1C(C)(C)Oc1c2cc(C(C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.066
InChIKey:QXVWAVCMHDMXLD-UHFFFAOYSA-N
ID: 30687
SMILES:COc1cc(CCCCC)cc2c1C1C(C3(C)C(CC1)C(C)(C)CCC3)CO2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.17
InChIKey:YVGIRYHWELNDNP-UHFFFAOYSA-N
ID: 30688
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 30689
SMILES:C1C(=C)CCC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2C=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.498
InChIKey:AVOUWDOESRKOBA-UHFFFAOYSA-N
ID: 30690
SMILES:C(C)CCCCCc1cc2c(c(O)c1)C1C=C(CO)CCC1(C)C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.24
InChIKey:UEWSMGRXTYFXNT-UHFFFAOYSA-N
ID: 30691
SMILES:CC12C(OC(=O)c3ccccc3)C(OC(C(C)CC)=O)C3C(C)(C)Oc4cc(CCCCC)cc(O)c4C3C1(O)C(C)CCC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 634.81
CB1 binding score: -14.481
InChIKey:JOGRTCMGQFFOBH-UHFFFAOYSA-N
ID: 30692
SMILES:c1(O)cc2c(cc1C)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.091
InChIKey:DENJPBAXNZGHTK-UHFFFAOYSA-N
ID: 30693
SMILES:C(Cc1cc(O)c(CC=C(C)CO)c(O)c1)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -14.435
InChIKey:MJACHAKOFQXVPM-UHFFFAOYSA-N
ID: 30694
SMILES:C1CC2(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C2C3C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.255
InChIKey:HNGNFBPXKHYQIG-UHFFFAOYSA-N
ID: 30695
SMILES:C1=C(C)CCC=C(C)CCC(C(C)(O)C)c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -14.069
InChIKey:MENPRUMGTWSVEA-UHFFFAOYSA-N
ID: 30696
SMILES:CC(C)=CCCC(=CCc1c(OC)c(CCC)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.015
InChIKey:RYFGEMLOKGPPRB-UHFFFAOYSA-N
ID: 30697
SMILES:CC1(C)Oc2cc(CCCCC)cc3c2C2C4C(C4(C=O)CC1)C(=O)C2(C)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -16.747
InChIKey:NDZFRQAZAJQYAA-UHFFFAOYSA-N
ID: 30698
SMILES:C(CC(C)CCC(C(C)(C)C)O)Cc1c(C(O)=O)c(CCCCC)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.784
CB1 binding score: -14.107
InChIKey:MIKHPDNSGBWKJV-UHFFFAOYSA-N
ID: 30699
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(O)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 30700
SMILES:C(CC(C)=CCc1c(O)cc(CCCCC)cc1)C=C(C)C
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: 30701
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.486
CB1 binding score: -19.258
InChIKey:DYHMKBLKWFFFSZ-UHFFFAOYSA-N
ID: 30702
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(C)C)CCC(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.059
InChIKey:DFDPTHLLXVCMEU-UHFFFAOYSA-N