ID: 78814
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C(C)(C(O)C(O)C=C(C)C1)C3=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.95
InChIKey:LEGDDJMUKYRVEZ-UHFFFAOYSA-N
ID: 78815
SMILES:C12(C)C(CC(O)CC1C)C(=O)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.887
InChIKey:NDGPFIFPDMUXKT-UHFFFAOYSA-N
ID: 78816
SMILES:C1C(C)=CC2C(C1)C(C)(C)Oc1cc(O)cc(CC(O)C(C)C)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.978
InChIKey:DBUYNBPIAIYNCQ-UHFFFAOYSA-N
ID: 78817
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.455
InChIKey:WODRTIUMYOLLLU-UHFFFAOYSA-N
ID: 78818
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C)c(C=O)c(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.629
InChIKey:HNFNVDZMOZFIRO-UHFFFAOYSA-N
ID: 78819
SMILES:CCCCCc1cc2c(c(O)c1)CC1(C(C)CCC3C(C)(C)C(O)C(Cc4ccc(CCCCO)cc4)cc31)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.792
CB1 binding score: -14.941
InChIKey:YSIIBBYUWVJTOM-UHFFFAOYSA-N
ID: 78820
SMILES:OS(=O)(=O)c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.534
CB1 binding score: -15.633
InChIKey:JQTJCEIDXIAERZ-UHFFFAOYSA-N
ID: 78821
SMILES:c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C(O)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -16.502
InChIKey:CHFJIDYUPLVMKS-UHFFFAOYSA-N
ID: 78822
SMILES:OC1(C)CCC2=C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.269
InChIKey:SEZYEGYUECNXNK-UHFFFAOYSA-N
ID: 78823
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C=CC1C(C)=CCC(CC=C(CCC=C(C=O)C)CO)C1C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.765
CB1 binding score: -12.789
InChIKey:OQVHTEGAZDGKDK-UHFFFAOYSA-N
ID: 78824
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)cc(OC)c32)CC1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 362.513
CB1 binding score: -16.015
InChIKey:HCPMPJXWUUCWKV-UHFFFAOYSA-N
ID: 78825
SMILES:c1c(CCCCC)cc2c(c1O)C1C=C(C(=O)O)C(OC(=O)C)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.717
InChIKey:BOTZTYOQXGUGSQ-UHFFFAOYSA-N
ID: 78826
SMILES:C1=C(C)CCC(Br)C(C)(C)Oc2cc(C)cc(OC(=O)C)c21
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 367.283
CB1 binding score: -15.929
InChIKey:JTTJKRGDXYIEGX-UHFFFAOYSA-N
ID: 78827
SMILES:c1(CCCC)c2c(cc(O)c1)C1=C(C(C)(C)O2)CCC(COC(=O)C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.29
InChIKey:WROKSYOWDAJFQT-UHFFFAOYSA-N
ID: 78828
SMILES:O1c2cc(CCCCC)cc(OC3C(O)C(O)C(O)C(CO)O3)c2C2C(C(CCC=C(C)C)C)CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.718
CB1 binding score: -14.179
InChIKey:LCBQCUTYSKVGRW-UHFFFAOYSA-N
ID: 78829
SMILES:CC(C)=CCCC1(C)Oc2cc(C)cc(OC)c2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.372
InChIKey:VRVBUCRQGHWYCT-UHFFFAOYSA-N
ID: 78830
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(CCCCCC)cc(O)c3C(OC3OCC(O)C(O)C3O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.637
CB1 binding score: -16.929
InChIKey:DXQPIJHDQCRISY-UHFFFAOYSA-N
ID: 78831
SMILES:c1(Cc2c(O)c3c(cc2O)OC(C)(C)c2C(C(C)CC2)C3O)cc(O)c(CC=C(CCC=C(C)C)C(=O)O)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.719
CB1 binding score: -16.37
InChIKey:HGZLYBFUJRJJIR-UHFFFAOYSA-N
ID: 78832
SMILES:c1(OCC=C(C)CC(C=C(C)C)O)ccc(O)cc1C1C(C(=C)C)CC(O)C(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.314
InChIKey:MMBCVCRDHGOXHB-UHFFFAOYSA-N
ID: 78833
SMILES:c1(CCCCC)cc(O)c(C2C(C(=C)C)CCC(CO)=CC2)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.973
InChIKey:HNXSDVKULOLTBC-UHFFFAOYSA-N
ID: 78834
SMILES:C(C=C(CCC1C(C)(C)O1)C)CC1(C)C=Cc2cc(OC)cc(C)c2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -18.639
InChIKey:SMSOUEHGPLOQNM-UHFFFAOYSA-N