ID: 44962
SMILES:C(C)(C)CCCC(C)c1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 356.55
CB1 binding score: -18.056
InChIKey:XVEIJYDCFFOZEG-UHFFFAOYSA-N
ID: 44963
SMILES:C1C(C)C(CCC(=CCc2c(O)c(C)cc(OC)c2)C)(C)OC2(C)CCC(C)=C(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -16.412
InChIKey:HVEAJZQULFFSHF-UHFFFAOYSA-N
ID: 44964
SMILES:c1c(O)cc(CCc2cc(O)c(C3C=C(C)CCC3C(=C)C)cc2)cc1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 348.486
CB1 binding score: -16.063
InChIKey:XCCAPPKMFSFDDS-UHFFFAOYSA-N
ID: 44965
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.423
InChIKey:MRLLOLSGDYQJHB-UHFFFAOYSA-N
ID: 44966
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 44967
SMILES:C1(=O)c2c(O)cc(CCCC)cc2OC(C)(C)C2=C1C1(C)C(CC2)C(C(O)(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -13.941
InChIKey:VRLLVJKZHBZCJP-UHFFFAOYSA-N
ID: 44968
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 44969
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)c(C=O)c2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.518
InChIKey:WQNXPIDJGPWIFL-UHFFFAOYSA-N
ID: 44970
SMILES:C1(O)C(O)C(O)C(Oc2c(O)cc3c(c2CCCCC)OC(C)(C)C2C3C=C(C)CC2)OC1CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -15.924
InChIKey:NGUHUFOGKPRXAY-UHFFFAOYSA-N
ID: 44971
SMILES:C(Cc1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC(O)C(C)=C1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -13.453
InChIKey:TUXLIJKHOMBLDI-UHFFFAOYSA-N
ID: 44972
SMILES:C(CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.609
InChIKey:HAKUWGCTBUVNJQ-UHFFFAOYSA-N
ID: 44973
SMILES:CC1=CCC(C(C)=C)C1c1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.249
InChIKey:NMHIUGBTISSDON-UHFFFAOYSA-N
ID: 44974
SMILES:C(CCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 44975
SMILES:C1(OC(=O)C2(C)C(O)CC(C(C)=C)CC2=C)c2c(cc(CCCCC)c(C(=O)O)c2O)OC(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.659
CB1 binding score: -15.949
InChIKey:XHSRQYRPBPHJSX-UHFFFAOYSA-N
ID: 44976
SMILES:C(CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCC=CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.642
CB1 binding score: -11.788
InChIKey:OGLFXBQQALJSTJ-UHFFFAOYSA-N
ID: 44977
SMILES:C(CCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -18.334
InChIKey:HXPWAXPFMKPESR-UHFFFAOYSA-N
ID: 44978
SMILES:COc1c(C(O)=O)cc(O)c2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -18.233
InChIKey:LHWVIVJBHCHIJW-UHFFFAOYSA-N
ID: 44979
SMILES:c1(OC)c(CCC)cc(OC)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.887
InChIKey:JCXNVMAVTMRZNT-UHFFFAOYSA-N
ID: 44980
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)C=CC(O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.25
InChIKey:PGZISGZFEFJPOZ-UHFFFAOYSA-N
ID: 44981
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.605
InChIKey:FKOKPCOQLHSURS-UHFFFAOYSA-N
ID: 44982
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C21)CC(O)(C)C#C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.01
InChIKey:UGXKYNGKWLVDBZ-UHFFFAOYSA-N