ID: 59599
SMILES:C1C2(C)Oc3c(c(O)c(C(OC)=O)c(CCCCC)c3)C(O)C2C(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -14.853
InChIKey:RNDRSIYQVLIKLZ-UHFFFAOYSA-N
ID: 59600
SMILES:C(C)(C)=CCCC1(C)C=Cc2c(c(CC=C(C)C)c(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.702
InChIKey:MUXYEWNTZXICPF-UHFFFAOYSA-N
ID: 59601
SMILES:C1C(=O)C(CC=C(C)C)Cc2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.603
InChIKey:WVUNGNGUAXBXKA-UHFFFAOYSA-N
ID: 59602
SMILES:c1(O)c(O)c(CCCCC)c2c(c1O)CC1OC(C)(C)C3C1C2(C)CCC3C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.515
InChIKey:VPIQAYNUPJFGIL-UHFFFAOYSA-N
ID: 59603
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 59604
SMILES:C(=C(C)C)CCC1(C)C(O)Cc2c(O)cc(CCC)c(C=O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.84
InChIKey:XGUYYVYYRXUNLC-UHFFFAOYSA-N
ID: 59605
SMILES:Oc1c2c(cc(CCCCC)c1O)C1C(CCC(CO)=C1C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.04
InChIKey:BVKAGRHWCXCVOU-UHFFFAOYSA-N
ID: 59606
SMILES:CC1(C)OC23C(OC4(C2)C(C)(C)Oc2cc(OCc5ccccc5)cc(C=CC(=O)OCC)c21)CC=C(C)C3CC4
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 558.715
CB1 binding score: -14.679
InChIKey:OAMPMRXHDSAJEB-UHFFFAOYSA-N
ID: 59607
SMILES:CC(C)C1CCC(C)(O)CC1c1c(O)cc(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 334.5
CB1 binding score: -15.78
InChIKey:BDBZZIPYGJGONN-UHFFFAOYSA-N
ID: 59608
SMILES:C1(C)=CC(c2c(OC)ccc(CCN)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.431
CB1 binding score: -17.669
InChIKey:LMYAYOBYNOLDQA-UHFFFAOYSA-N
ID: 59609
SMILES:c1cc2c(c3c1-c1c(cc(CCCCC)cc1O)OC3)CC1C(CCC2C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -15.519
InChIKey:AFCNPVZLKHGCDW-UHFFFAOYSA-N
ID: 59610
SMILES:C(CCCc1cc2c(c(O)c1)C(C)CC(C=C(C)C)O2)C=C(C=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.145
InChIKey:RLSGIULNFPMJIH-UHFFFAOYSA-N
ID: 59611
SMILES:C1(C)(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 59612
SMILES:C(C)(C)=CCC1CC2(C)C(=CO1)C1=CC(C)(C)OC2(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -13.705
InChIKey:QLWVUOXAZFNHFH-UHFFFAOYSA-N
ID: 59613
SMILES:c1(C)cc(O)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -17.334
InChIKey:HESKYZLBSIZEGS-UHFFFAOYSA-N
ID: 59614
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.621
InChIKey:WTWZGAANDNSULS-UHFFFAOYSA-N
ID: 59615
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.233
InChIKey:LXSFNMQURHTPIT-UHFFFAOYSA-N
ID: 59616
SMILES:c1(C2(C)CCC(O)C(COC(=O)C)(C)O2)ccc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -16.438
InChIKey:XEIIQPYILOCHMR-UHFFFAOYSA-N
ID: 59617
SMILES:c1c(CCCCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -16.495
InChIKey:FZVYKDRWUOCUTI-UHFFFAOYSA-N
ID: 59618
SMILES:C1=Cc2c(cc3c(c2O)COc2c3c(O)cc(CCCC)c2)C2C(=C1C)CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.559
CB1 binding score: -13.632
InChIKey:KZGCRRWMZJWDNO-UHFFFAOYSA-N
ID: 59619
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N