ID: 100444
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 100445
SMILES:CCCCCCc1c2c(c(O)c(C(=O)CC(C)C)c1)C1C(CC=C(C)C1=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -13.54
InChIKey:XFCZOARFLRXSOE-UHFFFAOYSA-N
ID: 100446
SMILES:CC(C)=CCc1c(OC)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -19.169
InChIKey:FCNLMUQPSJEBQE-UHFFFAOYSA-N
ID: 100447
SMILES:c1(O)c(C)cc(O)cc1C1C=C(C)CCC1C(C)=CC=CC(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -15.721
InChIKey:SGTHLKSWDHCNLI-UHFFFAOYSA-N
ID: 100448
SMILES:c1(C=CC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -17.179
InChIKey:FMLUIDQBRGTQSQ-UHFFFAOYSA-N
ID: 100449
SMILES:C1(O)C(O)C(O)C(CO)OC1OCC1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.641
CB1 binding score: -13.749
InChIKey:VIIHTGAIMIPWIM-UHFFFAOYSA-N
ID: 100450
SMILES:c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1CCc1ccc(O)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -14.985
InChIKey:CVPUUPANDGRBAT-UHFFFAOYSA-N
ID: 100451
SMILES:C1C2C(O)CC(C)(C2(C)C)C1=Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.053
InChIKey:OILDTTGMPQNRHW-UHFFFAOYSA-N
ID: 100452
SMILES:C1CC(C)C2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 100453
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 100454
SMILES:C(C=C(C)C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 100455
SMILES:C1(C(C)C)=CC(C(C)=C)C(c2cc(CCCCC)cc(O)c2)C=C(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -18.327
InChIKey:AKTCPJJMKAGXBV-UHFFFAOYSA-N
ID: 100456
SMILES:C(CC(C)=CCCC(=O)C)C1C(C)(C)Oc2cc(CCCCC)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.029
InChIKey:DSEJNXVTNJYKOY-UHFFFAOYSA-N
ID: 100457
SMILES:C1C2(C)C(O)CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.54
InChIKey:QTPJGLUCJRONKM-UHFFFAOYSA-N
ID: 100458
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.988
InChIKey:FDECQIAQAVZRFF-UHFFFAOYSA-N
ID: 100459
SMILES:c12c(c(O)ccc1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.145
InChIKey:YJSPCCRFFZMYHY-UHFFFAOYSA-N
ID: 100460
SMILES:C1(C)(C)C2CCC(CC)(C)Oc3cc(C)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.544
InChIKey:CKJZNUDSHLIREA-UHFFFAOYSA-N
ID: 100461
SMILES:CC1(CC=C(C)C)Oc2c(cc(CCCCC)cc2O)CC1CCC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.713
InChIKey:WLKULSALWAPNRK-UHFFFAOYSA-N
ID: 100462
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 100463
SMILES:C1(C(C)(OC)C)Oc2c(c(O)cc(CCCC)c2)C2=C1C(C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.611
InChIKey:KMEUECXRLGHUMZ-UHFFFAOYSA-N
ID: 100464
SMILES:C(CCC)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N