ID: 104644
SMILES:c1(C(C)C)cccc(CC(C)c2cc(O)c3c(c2)OC2(C)CCC3C(C)(C)C2C=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -15.12
InChIKey:OFANIDBJEHWAFT-UHFFFAOYSA-N
ID: 104645
SMILES:c1(OC2C(O)C(O)C(O)C(CO)O2)c(O)c2cc(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.474
CB1 binding score: -15.77
InChIKey:CQGMKUVJDJMHBV-UHFFFAOYSA-N
ID: 104646
SMILES:C1CC2(C(C)(C)CCCC2=C)Oc2ccc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.172
InChIKey:MUZCREBTGLBKEY-UHFFFAOYSA-N
ID: 104647
SMILES:C1(C)C(C)C(CC(=CCc2cc(O)ccc2O)C)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.838
InChIKey:MOLIJMXZDPOWHN-UHFFFAOYSA-N
ID: 104648
SMILES:O(C)c1ccc(C)cc1OCCc1c(C)cc2c(c1)C=CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -12.098
InChIKey:FULLAQLXEFYKMZ-UHFFFAOYSA-N
ID: 104649
SMILES:C12C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 104650
SMILES:C(CC)CCc1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 104651
SMILES:O=C1C(=C)C2(C(=O)C(C)CC3C(C)(C)C3C2)Cc2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.975
InChIKey:SAIWRMQTVLBFOW-UHFFFAOYSA-N
ID: 104652
SMILES:Oc1c(CC=C(C)CCC=C(C(O)=O)C)cc(O)c(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 346.467
CB1 binding score: -18.074
InChIKey:BCKIQZWCNRHXKE-UHFFFAOYSA-N
ID: 104653
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C2C(=C(C)CCC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.212
InChIKey:VTVNMDAWRXAACO-UHFFFAOYSA-N
ID: 104654
SMILES:c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(=O)CC(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.049
InChIKey:OECLOSQMABRUKX-UHFFFAOYSA-N
ID: 104655
SMILES:CC(C1Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC2C1(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -12.426
InChIKey:QKTSHYADZMMSGU-UHFFFAOYSA-N
ID: 104656
SMILES:C1(Oc2cc(CCCCC)cc(O)c2)C(C(C)CCC=C(C)C)CCC(CO)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.284
InChIKey:IHLBQZZGNSRAFO-UHFFFAOYSA-N
ID: 104657
SMILES:C(=C(C1CC=C(C)C(=O)C1)C)Cc1c(CC=C(C)C)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -14.291
InChIKey:SAARAIBRROKMAE-UHFFFAOYSA-N
ID: 104658
SMILES:C(CCC1=CCC(C(=O)C=C(C)CCC=C(C)C)C(c2c(O)cc(C)cc2OC(C)=O)O1)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -17.551
InChIKey:FPBQYIYIUUAFCK-UHFFFAOYSA-N
ID: 104659
SMILES:O1c2cc(CCCCC)cc(O)c2C2C(C(C)=C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.424
InChIKey:MJSRCZHZDURFKF-UHFFFAOYSA-N
ID: 104660
SMILES:c1c(O)c(C(C(C)C)=O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -18.957
InChIKey:VIYAGNJWEOQORJ-UHFFFAOYSA-N
ID: 104661
SMILES:Oc1cc2c(c3c1C(=O)C(CCCCC)=C(O)C3=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -12.98
InChIKey:YEICBCCHVKOKTN-UHFFFAOYSA-N
ID: 104662
SMILES:c1(C(NCC)=O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 331.412
CB1 binding score: -13.99
InChIKey:KULVMKOBFLOCDC-UHFFFAOYSA-N
ID: 104663
SMILES:O=C(Oc1cc(OC)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.365
CB1 binding score: -18.794
InChIKey:VFDBFRAWORHGDZ-UHFFFAOYSA-N
ID: 104664
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C=C(C(C)(O)C)C(=O)OC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.059
InChIKey:JQCDURKHTUHDBV-UHFFFAOYSA-N