ID: 117517
SMILES:CC1(C)Oc2c(cc(O)c(O)c2C(=O)O)C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -15.857
InChIKey:FKHVECVOSIQLAA-UHFFFAOYSA-N
ID: 117518
SMILES:C1CC(O)(C)C2CCC(C)(C)Oc3c(c(O)cc(C)c3)C12
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids;Guaiane sesquiterpenoids
MW: 290.403
CB1 binding score: -12.949
InChIKey:NWFWPOIJULVSFM-UHFFFAOYSA-N
ID: 117519
SMILES:C1(C(=C)C(=O)OC)C(c2c(O)cc(CCCCC)cc2O)CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.127
InChIKey:LVVLMJBTDHSOTO-UHFFFAOYSA-N
ID: 117520
SMILES:C1(O)C2(C)C3CC(C)(C)C3C3Oc4c(cc(CCCCC)cc4O)CC1(C)C32
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.597
InChIKey:YGZJSJVRGWTTJA-UHFFFAOYSA-N
ID: 117521
SMILES:C1(C)=CCCC(C)=CC2c3c(C=O)cc(O)c(c3)OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -14.856
InChIKey:FPIFNBGPYGZRLU-UHFFFAOYSA-N
ID: 117522
SMILES:Brc1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.229
CB1 binding score: -15.249
InChIKey:RTSFNZUGHIHMDH-UHFFFAOYSA-N
ID: 117523
SMILES:C1=C(C)C(O)C2C(C1)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.606
InChIKey:GOMHNRLYZFVMMN-UHFFFAOYSA-N
ID: 117524
SMILES:Oc1c(OC(=O)C(C)=CC)c2c(cc1CCC)OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -13.456
InChIKey:MPLNMBPDSIZDAZ-UHFFFAOYSA-N
ID: 117525
SMILES:c1(O)c2c(c(C)c(CCCCC)c1)CCC1C(C)(C)C=CCC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -15.998
InChIKey:QWDDGAKNOFAVHZ-UHFFFAOYSA-N
ID: 117526
SMILES:c1(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 117527
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: 117528
SMILES:C(c1cc2c(cc1O)CCC(CCC=C(C)C)(C)O2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -14.994
InChIKey:KSUGPEZAVVHGHY-UHFFFAOYSA-N
ID: 117529
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC=C(C)C1=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -18.748
InChIKey:FBHZBPNAAHAGRN-UHFFFAOYSA-N
ID: 117530
SMILES:C(C)(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 117531
SMILES:C(c1cc(O)cc(CC=C(C)C=CC=C(C)C)c1O)OC(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.52
InChIKey:PGMDLNVQIKCXRF-UHFFFAOYSA-N
ID: 117532
SMILES:C1=CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -20.081
InChIKey:XLSYFQOJMWXOCT-UHFFFAOYSA-N
ID: 117533
SMILES:c1c(CCCCC)cc2c(c1)OC(C)(C)c1c-2cc(CCCC(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.573
CB1 binding score: -16.418
InChIKey:VLYXUGRNBAMPJL-UHFFFAOYSA-N
ID: 117534
SMILES:C1=C2C(=O)c3c(O)cc(CCCCC)cc3OC(CCC=C(C)CC3(O)CC(Br)C(C)(C)OC3=C2C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 573.568
CB1 binding score: -16.943
InChIKey:XVMJVRFKCGTLCO-UHFFFAOYSA-N
ID: 117535
SMILES:C(C)(=CCCC(C1CCC(C)(O)C2Oc3cc(CCCCC)cc(O)c3C12)(O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -16.176
InChIKey:SGJHGPWHULWNPO-UHFFFAOYSA-N
ID: 117536
SMILES:C1CC(C)CC(c2c(O)cc(CCCC(=O)CCc3cc(O)c(O)cc3)cc2O)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -16.139
InChIKey:MVTJDPBOZZGCKU-UHFFFAOYSA-N
ID: 117537
SMILES:c1(O)c(C2CC(C(=C)C)CCC2(O)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.112
InChIKey:OYXGDNNXNJGNMD-UHFFFAOYSA-N