ID: 112498
SMILES:c1(O)c(C2C(C(=C)C)CCC(C=O)=C2)c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.622
InChIKey:PIJYUMGPCWSVHB-UHFFFAOYSA-N
ID: 112499
SMILES:CC1(C)C2=CCC(C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.788
InChIKey:GAWDEFPGLKPBKF-UHFFFAOYSA-N
ID: 112500
SMILES:CC1(C)Oc2cc(CCCC(=O)C)ccc2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -14.827
InChIKey:PFWCERJZFJTXHI-UHFFFAOYSA-N
ID: 112501
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2)C1C(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -17.838
InChIKey:NMMZPZFRMUCCQT-UHFFFAOYSA-N
ID: 112502
SMILES:C1(O)CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.731
InChIKey:HTQYRLQZGJRQSW-UHFFFAOYSA-N
ID: 112503
SMILES:COc1c(CC(C)C)cc(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.423
InChIKey:HQGSSGSPKWHQNS-UHFFFAOYSA-N
ID: 112504
SMILES:c1(OC)c(C2C=C(C)CCC2C(C)=C)c(O)cc(C=Cc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.705
CB1 binding score: -14.347
InChIKey:JTYMZJOJYHEYHV-UHFFFAOYSA-N
ID: 112505
SMILES:c12c(=O)cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(OCC=C(C)CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -15.05
InChIKey:FUZZKQNJCJNJOX-UHFFFAOYSA-N
ID: 112506
SMILES:C(C(=O)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.728
InChIKey:KDGJECSFPZVNRE-UHFFFAOYSA-N
ID: 112507
SMILES:c1c(CCCCC)cc2c(c1O)C1CC(C)(CCC=C(C)C)OC1C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.882
InChIKey:MBCXWBWWWGUDHF-UHFFFAOYSA-N
ID: 112508
SMILES:c1(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)cc(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.783
InChIKey:WRSZHNSNIPPOJR-UHFFFAOYSA-N
ID: 112509
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 112510
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 112511
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)OC2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 222.284
CB1 binding score: -15.374
InChIKey:FAKQKLPHWSHMSG-UHFFFAOYSA-N
ID: 112512
SMILES:CC(CCCC(CCC=C(C)C)C)=CCc1c(O)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.162
InChIKey:GVVUQQWWMGBFAL-UHFFFAOYSA-N
ID: 112513
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19
InChIKey:VCUWNGMQOOFWFS-UHFFFAOYSA-N
ID: 112514
SMILES:C12C=C(C(C)=O)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.767
InChIKey:JXVSPHMSDIBMCC-UHFFFAOYSA-N
ID: 112515
SMILES:O(c1cc(C)c2c(c1)CCC(CCC1C(C)(C)Oc3cc(CCCSC)cc(C)c31)C2=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.687
CB1 binding score: -14.078
InChIKey:OKUQGLKUPVTZRJ-UHFFFAOYSA-N
ID: 112516
SMILES:O1C2(CCCC(C)C)CCC(C1(C)C)CC21SCC2c3c(O)c(O)c(O)cc3OC(C)(C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.706
CB1 binding score: -14.649
InChIKey:SGJINFHHWVXFDG-UHFFFAOYSA-N
ID: 112517
SMILES:c1(O)cc(CO)c2c(c1CCCCC)OC(C)(C)C1C2CC(=C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.371
InChIKey:XWWNJMZVYACTKW-UHFFFAOYSA-N
ID: 112518
SMILES:CC1(C)C2CCC(C)=CC2c2ccc(O)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N