ID: 90070
SMILES:CC1(C)Oc2cc(CCCC)cc(O)c2C2C=C(C(=O)O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -16.772
InChIKey:WJHQISUVRLKWSS-UHFFFAOYSA-N
ID: 90071
SMILES:C1=CC(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.32
InChIKey:WWYMYGIVLCKTBL-UHFFFAOYSA-N
ID: 90072
SMILES:C12c3c(cc(CCCCC)cc3OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.202
InChIKey:VNTXNVDFMCFUOS-UHFFFAOYSA-N
ID: 90073
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 90074
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)c(OC(=O)C)c(OC3C(O)C(O)C(O)C(CO)O3)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.527
CB1 binding score: -14.826
InChIKey:MLSKTEKFSJDRKG-UHFFFAOYSA-N
ID: 90075
SMILES:C1C(C)C23C(c4c(cc(CCCCC)cc4O)O2)OC(C=C(C)C)CC(C)C3C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.467
InChIKey:QJXZJANAHXMQPE-UHFFFAOYSA-N
ID: 90076
SMILES:C1(C)(C)Oc2c(ccc(CCC)c2)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Merohemiterpenoids
MW: 206.285
CB1 binding score: -16.616
InChIKey:OVCFZOKZDCKXLT-UHFFFAOYSA-N
ID: 90077
SMILES:CC(O)(C)C1(O)C(OC(=O)C)C=C(C)C2c3c(cc(CCCCC)cc3O)OC1C(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -18.754
InChIKey:JWWMDPKFCBARGC-UHFFFAOYSA-N
ID: 90078
SMILES:c1(O)c(O)c(CCCCC)c(C2C(C)(C(O)=O)CCCC2=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.552
InChIKey:UPBJAAKKUGTQNQ-UHFFFAOYSA-N
ID: 90079
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(CC=C(C)C1O)C(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.665
InChIKey:RKDVIBXYXNILQY-UHFFFAOYSA-N
ID: 90080
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.101
InChIKey:RIISKQDBRAJBLQ-UHFFFAOYSA-N
ID: 90081
SMILES:C1=CCC(C)=CC1c1c(O)cc(CCCCCCC)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -12.818
InChIKey:ZSQVGWZWZMXFFV-UHFFFAOYSA-N
ID: 90082
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 90083
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 90084
SMILES:CC(Oc1c(C(=O)C)c(C(C(C)C)OC)c(OC(C)=O)c2c1C1CC(C)=CCC1C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.578
CB1 binding score: -16.157
InChIKey:PJKPIWYEJMKGIT-UHFFFAOYSA-N
ID: 90085
SMILES:C1(C)(C)C(CO)CC2(c3c(O)cc(CCCCC)cc3OC2=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.193
InChIKey:ZJQZFVIYCVOQHS-UHFFFAOYSA-N
ID: 90086
SMILES:c1(O)c2c(c(CC=C(C)CCC=C(C)C(O)=O)cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.111
InChIKey:KZPGJWLRACDEOJ-UHFFFAOYSA-N
ID: 90087
SMILES:C(C1CCC2(C)Oc3c(c(O)cc(CCC)c3)C2C1(CCC(O)=O)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.239
InChIKey:OYEBHHGDHZXEAQ-UHFFFAOYSA-N
ID: 90088
SMILES:C(C=O)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -12.272
InChIKey:KFLIFMGQUCFFEL-UHFFFAOYSA-N
ID: 90089
SMILES:c1(O)cc(CCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 90090
SMILES:C(CCCCC(OCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1)=O)Cc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.673
CB1 binding score: -13.307
InChIKey:NZGDGSSTQWGVJH-UHFFFAOYSA-N