ID: 90595
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 90596
SMILES:C1(C)(C)Oc2c(c(OC)cc(CCCCC)c2)-c2cc(C(C)C)ccc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -14.605
InChIKey:YBFFYQRLYHDKED-UHFFFAOYSA-N
ID: 90597
SMILES:C12(C)Oc3c(C(O)=O)c(CCCCC)cc(O)c3C(C1C(C(C)=C)CC(O)C=C(C)C)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -15.699
InChIKey:URRLOAXLJHIZJE-UHFFFAOYSA-N
ID: 90598
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C(O)C(C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.364
CB1 binding score: -16.107
InChIKey:VTCZEEPOFIDLBJ-UHFFFAOYSA-N
ID: 90599
SMILES:C1C(C)C(OC(=O)C)CC(C(C)CCC=C(C)C)=C1c1c(O)cc(CCCC)cc1OC(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -16.309
InChIKey:RYDUPMIRHRFQAX-UHFFFAOYSA-N
ID: 90600
SMILES:c1(OC)cc(CCCCC)cc2c1-c1ccccc1CC2CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -15.287
InChIKey:RKAHJVJAWFRODQ-UHFFFAOYSA-N
ID: 90601
SMILES:C1CC(C)=CC(c2c(O)c(C(=O)O)cc(CCCCC)c2)C1C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 344.495
CB1 binding score: -15.87
InChIKey:JZZJCCTUJKXMGD-UHFFFAOYSA-N
ID: 90602
SMILES:C(c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1)(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 90603
SMILES:O(C(C=C(C)C)=O)c1cc(Cc2c(OC)c3c(c(OC)c2)OC(C)(C)C2CCC(C)=CC23)oc(=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.584
CB1 binding score: -17.006
InChIKey:BZFNVEPSJVGAIY-UHFFFAOYSA-N
ID: 90604
SMILES:C1CC(Br)C(C)(C)Oc2cc(CCCCC)c(CCC(C)=O)c(OC(C)=O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.417
CB1 binding score: -14.158
InChIKey:MBMIIMMXHIHVHF-UHFFFAOYSA-N
ID: 90605
SMILES:CC(=CCc1c(O)cc(CCCCC)c(C=O)c1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 90606
SMILES:CCCCCc1cc2c(c(OC(=O)CC)c1OC)C1(C(=C)C)CC(C)C=CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.519
InChIKey:YKLHPGYGNMFIRM-UHFFFAOYSA-N
ID: 90607
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 90608
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC3C(O)(C(=O)C2=O)C(C)CCC13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.616
CB1 binding score: -16.101
InChIKey:UZKUIQIPSYHYBV-UHFFFAOYSA-N
ID: 90609
SMILES:C1C(C)=CC(c2c(OC)ccc(CC[N+](C)(C)O)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: 90610
SMILES:O=C(OCC1=CC2C(CC1)C(C)(C)Oc1c2ccc(OC)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.452
InChIKey:WQWSHBOIHZJABM-UHFFFAOYSA-N
ID: 90611
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 90612
SMILES:C(CC1(C)Oc2c(cc(CCCCC)cc2O)C=C1C)=Cc1ccccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.513
CB1 binding score: -17.025
InChIKey:JTMUGSWEDDWMRA-UHFFFAOYSA-N
ID: 90613
SMILES:C(C)(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 90614
SMILES:Oc1c(C(=O)CC(C)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.439
InChIKey:MMBSMBBFKYDYEQ-UHFFFAOYSA-N
ID: 90615
SMILES:C1c2cc(CCCCC)cc(O)c2C(=O)C2(C)CC1CC2C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -11.991
InChIKey:UDHIVCYKIOVMHW-UHFFFAOYSA-N