ID: 12433
SMILES:C12(C)C(C(O)CC3(C)Oc4c(c5cc(CCCCC)cc(O)c5C=C43)o1)C(C)(C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -14.055
InChIKey:NLQXBMPMRHQAJS-UHFFFAOYSA-N
ID: 12434
SMILES:C1CCC(CO)(C)C2C1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.09
InChIKey:AEPBEXNJSZQBTL-UHFFFAOYSA-N
ID: 12435
SMILES:c1(O)c(C=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 12436
SMILES:C(=CCc1c(OC)cc(COC(=O)C)c(O)c1)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.941
InChIKey:VFNDMZHULAMAEJ-UHFFFAOYSA-N
ID: 12437
SMILES:CC1(C)Oc2c(c(O)cc(C)c2)C2C=C(CCC=C(C)C)C(=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.559
InChIKey:JGNSHWZCUDSUOD-UHFFFAOYSA-N
ID: 12438
SMILES:C1(C)C(C(C)C)(C)C2CCC(C)=CC1c1c(O)cc(C)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.53
InChIKey:ZAHZJSNAHYNOFM-UHFFFAOYSA-N
ID: 12439
SMILES:C1(C)(C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.27
InChIKey:JNUWKSNIBRJTBP-UHFFFAOYSA-N
ID: 12440
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 12441
SMILES:C1C(C)=CCC2(C)Cc3c(c(C)c(C)c(Cl)c3O)OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.887
CB1 binding score: -14.553
InChIKey:JVFRJRCVQJUJQV-UHFFFAOYSA-N
ID: 12442
SMILES:c12c(cc(CCCC)c3c1OC(C)(C)C1CCC(C)=CC13)Oc1ccc(O)cc1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.55
CB1 binding score: -14.435
InChIKey:ZUYLQYWEALFXJO-UHFFFAOYSA-N
ID: 12443
SMILES:CC(C)(O)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 12444
SMILES:O=C(OC)C1=CCC2(C(C(C)CCC=C(C)CO)C)CCC1(C)Oc1c2c(O)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -15.929
InChIKey:WSDNURZMLQAAQT-UHFFFAOYSA-N
ID: 12445
SMILES:O=C(CCCCCCC)OC(C)(C)C1C(c2c(OC)cc(CCCCC)cc2)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.711
CB1 binding score: -15.314
InChIKey:SPUNTZXGAQOZEF-UHFFFAOYSA-N
ID: 12446
SMILES:COC(C)(C)C=CCC(C)=CCc1c(O)cc(CCCCC)c(C(O)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -17.092
InChIKey:VGPPFZKBYHGIFX-UHFFFAOYSA-N
ID: 12447
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C=O)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.053
InChIKey:HQRKNUDGMPVIMO-UHFFFAOYSA-N
ID: 12448
SMILES:C(Cc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 12449
SMILES:O=C1Oc2c(CCCCC)cc(O)cc2C1CC1C(C)=CCC2C(C)(C)C(Br)CCC2(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 519.52
CB1 binding score: -16.495
InChIKey:IQJAYMXVQQRFPU-UHFFFAOYSA-N
ID: 12450
SMILES:C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC(O)C(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.822
InChIKey:JRBJWTFTANVJBC-UHFFFAOYSA-N
ID: 12451
SMILES:c12c(c(O)c(CCC)cc1O)OC(CCC=C(C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -17.098
InChIKey:XIWBYVOFSYBXGI-UHFFFAOYSA-N
ID: 12452
SMILES:c1(CCCCC)cc2c(cc1)C1=CC(C)(C)OC1(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -15.735
InChIKey:JIKLJPKHDAWFOB-UHFFFAOYSA-N
ID: 12453
SMILES:O1c2c(c(O)c(C3C(C(C)=C)CCC(C)=C3)c(O)c2)CC1(C)CCC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -14.035
InChIKey:UTOYZOPEGDHKCW-UHFFFAOYSA-N