ID: 22870
SMILES:C1=C(C)C2C(C(C)(C)Oc3cc(CCCCCC)cc(O)c32)CC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.733
InChIKey:FKSLOHTZJHOAMQ-UHFFFAOYSA-N
ID: 22871
SMILES:CC1(C)C2CCC(C)(O)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 22872
SMILES:O(c1cc(O)c(C(CC(C)C)=O)c2c1C1C(C3C(O1)C(C)(C)O3)CC(C)C2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -15.361
InChIKey:UBFYYZYVLFYHGL-UHFFFAOYSA-N
ID: 22873
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CC)(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.471
InChIKey:PAWNADDOMQPCHU-UHFFFAOYSA-N
ID: 22874
SMILES:C=CCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.998
InChIKey:KHPJSCHUZCESPG-UHFFFAOYSA-N
ID: 22875
SMILES:c12c(CCCCC)cc(O)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.296
InChIKey:SBDHCUZETSWOAX-UHFFFAOYSA-N
ID: 22876
SMILES:C1c2c(OC)cc(COC(=O)CCCCCCCCC)c(C)c2OC12CCC(CO)=CC1(O2)C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.806
CB1 binding score: -15.929
InChIKey:XNTRPCPROKHROL-UHFFFAOYSA-N
ID: 22877
SMILES:C(c1c(CC=C(C)C)c2c(cc1O)OC(c1cc(O)cc(CCCCC)c1)C2=O)C=C(C)CCC=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 516.722
CB1 binding score: -12.428
InChIKey:ICPITJCNOUYOSY-UHFFFAOYSA-N
ID: 22878
SMILES:O1c2cc(O)cc(C)c2C2C(CCC(C)=C2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.409
InChIKey:BJMZVRMKKMPCLN-UHFFFAOYSA-N
ID: 22879
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 22880
SMILES:C(C)CCCCc1cc(O)c(C2C=C(C(O)=O)CCC2C(C)C)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.116
InChIKey:SUTZVAQNSIFUPW-UHFFFAOYSA-N
ID: 22881
SMILES:c1(CO)c(O)cc2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.632
InChIKey:AZNAPNFTHHFXGX-UHFFFAOYSA-N
ID: 22882
SMILES:c1(CCCCC)cc2c(c(O)c1C(O)=O)CC1C(C)(CC(C=C(C)C)O)OC2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.699
InChIKey:XBRVLBGQVMYITH-UHFFFAOYSA-N
ID: 22883
SMILES:CC1(C)Oc2cc(O)c(C(c3ccccc3)=O)cc2C2=C1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.544
CB1 binding score: -15.398
InChIKey:BTPOBHADUYQFCF-UHFFFAOYSA-N
ID: 22884
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C(OC)=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 22885
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 22886
SMILES:C(C1CC(C=O)=CC2CC(C)=CC1c1c(O)cc(CCCCC)cc12)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.583
CB1 binding score: -14.241
InChIKey:FKTZJZBITDDFPN-UHFFFAOYSA-N
ID: 22887
SMILES:c1(CCCCC)cc2c(c(O)c1)C1(O)C(CC=C(C)C2)(CCCC(C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.175
InChIKey:ZZHMKLPBONHCJR-UHFFFAOYSA-N
ID: 22888
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)c(C(=O)CC(C)C)c(O)c(C=O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -17.581
InChIKey:JFADHCMLMYPJCV-UHFFFAOYSA-N
ID: 22889
SMILES:C(Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -17.388
InChIKey:IQKOWWNVVCFGJD-UHFFFAOYSA-N
ID: 22890
SMILES:COCCc1c(O)c2c(cc1C(C)=O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.054
InChIKey:SQFGXPTXEUPCCX-UHFFFAOYSA-N