ID: 107878
SMILES:O(C1C(CO)C2COc3c(c(O)cc(CCCCC)c3)C2C=C1C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -11.7
InChIKey:NVCVMFUFRRNHMS-UHFFFAOYSA-N
ID: 107879
SMILES:O1C2c3c(OC)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -14.458
InChIKey:HASQXMNKIGHMEE-UHFFFAOYSA-N
ID: 107880
SMILES:Oc1c(C2C=C(C)C(O)CC2C(CCC=C(C)C)C)c(O)cc(CCc2ccccc2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -16.615
InChIKey:WEKPPNBCHJUAKK-UHFFFAOYSA-N
ID: 107881
SMILES:C(=C(C1C(C=O)C(C=O)=CC(OC(C)=O)C1C(=C)C)C)C(C)=CCc1cc(O)cc(C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.547
CB1 binding score: -13.6
InChIKey:YJARKQRWKGFNEN-UHFFFAOYSA-N
ID: 107882
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 107883
SMILES:C12C(C)(C)Oc3cc(C)c(CCCCC)c(C(O)=O)c3C1CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.423
InChIKey:NRHUZGZINYCKRP-UHFFFAOYSA-N
ID: 107884
SMILES:c1(O)cc(CCCC)cc(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 107885
SMILES:C1Cc2cc(CCCCC)cc(O)c2C2(O)C(=O)C1(C)CC=C2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -13.991
InChIKey:XSUNHACRGVWCCU-UHFFFAOYSA-N
ID: 107886
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 107887
SMILES:c1(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc(O)c1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.528
InChIKey:ZVEGKLDFXIYOEP-UHFFFAOYSA-N
ID: 107888
SMILES:c12cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 107889
SMILES:c1(CC=C(CCC=C(C)C)C)c(OC)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 107890
SMILES:c1c(CC=O)cc2c(c1)OC(C)(C)C1C2CC(C)C(=O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -12.677
InChIKey:QDASYJLWBMYJBC-UHFFFAOYSA-N
ID: 107891
SMILES:c1c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 107892
SMILES:C(C1C(Cl)C2c3c(O)cc(C)cc3OC2(C)C1)(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.779
CB1 binding score: -15.701
InChIKey:FRVBMZQNLKFENF-UHFFFAOYSA-N
ID: 107893
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 107894
SMILES:C1(CO)=CC(c2c(O)ccc(O)c2-c2c(O)cc(CCCCC)cc2OC)C(C)C(C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -15.333
InChIKey:YMYHZNCQQJDAQO-UHFFFAOYSA-N
ID: 107895
SMILES:C1(Oc2c(O)c3c(cc2CCC)OC(C)(C)C2Oc4cc(C)c(Br)cc4C32)CC(C)(C)Oc2c1ccc(CCC(O)=O)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 651.594
CB1 binding score: Not available
InChIKey:CUUJPZKNGPQGGH-UHFFFAOYSA-N
ID: 107896
SMILES:C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.748
InChIKey:ORIYPICUSOGUOA-UHFFFAOYSA-N
ID: 107897
SMILES:C1(c2c(O)cc(CCC(CC)OC(C)=O)cc2OC)(C)CC=CC=C1C(=O)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.46
CB1 binding score: -15.877
InChIKey:HUFYTZNUUUYPKE-UHFFFAOYSA-N
ID: 107898
SMILES:C1(C)=CC(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.567
InChIKey:URRJUSLCXVXZOX-UHFFFAOYSA-N