ID: 57877
SMILES:C12C(=CCCC1C)C(C)(C)Oc1c2c(OC)cc(CCCC)c1Br
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.365
CB1 binding score: -15.12
InChIKey:CARJRPPWQVOBKC-UHFFFAOYSA-N
ID: 57878
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)c(C2C(C(C)=C)CC=C(CCC=C(C)C)C2)c(O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.718
CB1 binding score: -16.256
InChIKey:ZXHNNXUVGWZRNP-UHFFFAOYSA-N
ID: 57879
SMILES:C1CC(C)C2CC3C(C)(C12)c1c(cc(CCCCC)cc1O)OC3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -14.902
InChIKey:MOPRNFNRZGSXOL-UHFFFAOYSA-N
ID: 57880
SMILES:CC1(C)C(CC=C(C)C)CC(CCCCC)=CC1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.453
CB1 binding score: -14.823
InChIKey:ZXACPRAXNWLMCJ-UHFFFAOYSA-N
ID: 57881
SMILES:C(O)(C)(C=C)CCc1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -15.455
InChIKey:MLDQRYOCSPDATP-UHFFFAOYSA-N
ID: 57882
SMILES:C(c1cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.191
InChIKey:HQEZTGOPKZCOKN-UHFFFAOYSA-N
ID: 57883
SMILES:Oc1c(C(=O)CCCCCC)cc2c(c1)C1C(O)(C(C)(C)O2)CCC(C)(O)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.556
CB1 binding score: -14.046
InChIKey:DHCFKRBRLDFUSO-UHFFFAOYSA-N
ID: 57884
SMILES:C1C2(C)C3C(C)(CCC2C(C)(C)C(=O)C1)c1c(cc(CCCCC)cc1O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.255
InChIKey:OCZPLKUKXPBMOR-UHFFFAOYSA-N
ID: 57885
SMILES:CC12C3(C(C)(O3)C=CC1=O)Oc1c(c(O)cc(CCCCC)c1)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -16.689
InChIKey:UJTKFGYVNBBPNM-UHFFFAOYSA-N
ID: 57886
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 57887
SMILES:C1CC2(C)Oc3c(c(OC(C)=O)cc(CCCCC)c3)C3OC(C)(CC(O)C(O)C(C)(O)C1)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -12.246
InChIKey:GDSQVUUWCQLEKC-UHFFFAOYSA-N
ID: 57888
SMILES:OC1CC(=O)c2c3c(cc(O)c21)OC(C)(C)C1C3C(C)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.386
InChIKey:ZTCKYZULRDIAME-UHFFFAOYSA-N
ID: 57889
SMILES:Oc1c(C)c(C(C)CC)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.398
InChIKey:NHHWIFOGXXVITR-UHFFFAOYSA-N
ID: 57890
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 57891
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C1C(O)=O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -15.273
InChIKey:XEWDZUDMVYAKBN-UHFFFAOYSA-N
ID: 57892
SMILES:Oc1c2c(c(C(C(CC)C)=O)c(O)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.912
InChIKey:FVBZOAKTRQYEBD-UHFFFAOYSA-N
ID: 57893
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 57894
SMILES:C12C(c3c(cc(OC(=O)CC)c(C)c3Cl)OC1(C)C)C=C(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.842
CB1 binding score: -12.564
InChIKey:RGQXMSHSPXVCMG-UHFFFAOYSA-N
ID: 57895
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -18.138
InChIKey:CUNZWRHOBZASJY-UHFFFAOYSA-N
ID: 57896
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 57897
SMILES:C12=CC=C(C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.106
InChIKey:BARGKLHCBRCMLH-UHFFFAOYSA-N