ID: 63694
SMILES:C(CCC(C)(O)C1C2C3C(C)CCC3C2(C)C1)c1cc(O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.463
InChIKey:BKZXRBDVQHWIIQ-UHFFFAOYSA-N
ID: 63695
SMILES:c1(O)cc2c(cc1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.07
InChIKey:LIEZPCZOEMYUIR-UHFFFAOYSA-N
ID: 63696
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C(=O)O)C(C=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.44
InChIKey:SVPZTGXDLCUULG-UHFFFAOYSA-N
ID: 63697
SMILES:C1(C)CC2c3c(cc(CCCCC)cc3O1)OC(O)C2=CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.821
InChIKey:GNMODJILPSESBY-UHFFFAOYSA-N
ID: 63698
SMILES:c1c(CCCCC)cc2c(c1O)C1C(C(C)=C)CCC(C)(O)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 63699
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -16.515
InChIKey:BYIOERCQWYRJAJ-UHFFFAOYSA-N
ID: 63700
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 63701
SMILES:C(c1c(O)c2c(c(C(C(CC)C)=O)c1O)OC(C)(C)C1C2C=C(C)CC1)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -18.846
InChIKey:CAUAXJSVLHMJOH-UHFFFAOYSA-N
ID: 63702
SMILES:C1(C)(C)C(c2c(O)cc(CCCC)cc2O)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -14.368
InChIKey:IJDJSICDMSIFAJ-UHFFFAOYSA-N
ID: 63703
SMILES:c1c2c(c(Cl)c(OC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.806
CB1 binding score: -15.387
InChIKey:WGBKQXWXQPMBOP-UHFFFAOYSA-N
ID: 63704
SMILES:C1C(C=O)CC(c2c(O)cc(CCCC)cc2)C(C(CCC=C(C)C)(O)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.024
InChIKey:QREXUNIJUKHZCQ-UHFFFAOYSA-N
ID: 63705
SMILES:C(=O)(C(C)c1cc(O)c2c(c1)OC(C(=C)C)CC=C(C)CCC=C(C)C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -15.62
InChIKey:QUUBEDZNIMMXJH-UHFFFAOYSA-N
ID: 63706
SMILES:C1C(CO)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.233
InChIKey:LXSFNMQURHTPIT-UHFFFAOYSA-N
ID: 63707
SMILES:CC1(C)Oc2ccc(CCCCC)cc2C2=CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -14.494
InChIKey:PSVZBQCBUGHBBN-UHFFFAOYSA-N
ID: 63708
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 63709
SMILES:Oc1cc(CCc2ccc(O)c(O)c2)cc2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.484
CB1 binding score: -19.593
InChIKey:YXAZDQQYUJWCDM-UHFFFAOYSA-N
ID: 63710
SMILES:c12cc(CCCCC)ccc1OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.577
InChIKey:LHWLFYGKRIKNPZ-UHFFFAOYSA-N
ID: 63711
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.441
InChIKey:TUQZDGULHPICQO-UHFFFAOYSA-N
ID: 63712
SMILES:CC1(C)C(C)(C(=O)CC(C)CC)c2cc(Br)c(C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.3
CB1 binding score: -15.357
InChIKey:AMWNTKWDJCJZTH-UHFFFAOYSA-N
ID: 63713
SMILES:Oc1c(OC)c(C)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.605
InChIKey:VDMBWSOUBMFUFN-UHFFFAOYSA-N
ID: 63714
SMILES:c1(CCCCC)cc(C2CC(C)=CCC2(C)C)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.46
CB1 binding score: -13.356
InChIKey:ACWOKOMJCWSKBI-UHFFFAOYSA-N