ID: 121885
SMILES:Oc1c(CC=C(C)CC(C=C(C)C)=O)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 330.468
CB1 binding score: -17.947
InChIKey:ZXDVFJZNEMZQLZ-UHFFFAOYSA-N
ID: 121886
SMILES:c1ccc(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 121887
SMILES:C1C(CC=C(C)C(=O)OC)C2=C(C)CC(C)(C)C2Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.896
InChIKey:UFXSLDUMSBSGHH-UHFFFAOYSA-N
ID: 121888
SMILES:c1(CCCCCC(=O)C23C(CCC(C)=C2)C(C)(C)C(C(=C)C)CC3)cc(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.653
CB1 binding score: -13.097
InChIKey:RQQLBXDMORBEAU-UHFFFAOYSA-N
ID: 121889
SMILES:c1(O)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 121890
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C)(O2)CC(=O)C(C(CC(C)O)C(O)=O)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.486
CB1 binding score: -12.842
InChIKey:KCRQAHFVSJIKIZ-UHFFFAOYSA-N
ID: 121891
SMILES:C(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.691
InChIKey:ZBBXHJRPBQMOEE-UHFFFAOYSA-N
ID: 121892
SMILES:Oc1c(CC=C(CCC=C(C)C)C)cc(O)c(CC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.051
InChIKey:TXLIVWXFPYVBTA-UHFFFAOYSA-N
ID: 121893
SMILES:CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.389
CB1 binding score: -17.479
InChIKey:CXRSPYMYNPYCMM-UHFFFAOYSA-N
ID: 121894
SMILES:C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.217
InChIKey:SSPCWHFNEBILDC-UHFFFAOYSA-N
ID: 121895
SMILES:C1C(C(C)(C)O)C(c2c(O)cc(CCC)cc2O)CC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.987
InChIKey:CYWNGHQPFIJSAD-UHFFFAOYSA-N
ID: 121896
SMILES:c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 121897
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.175
InChIKey:ZTQOSKXHFZZGGF-UHFFFAOYSA-N
ID: 121898
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)C(C(C)(C)O)CCC2CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -13.658
InChIKey:HNKHTSPXRWKMNK-UHFFFAOYSA-N
ID: 121899
SMILES:C(Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC)cc1CO)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -12.729
InChIKey:GPWHTPYIBFMXCB-UHFFFAOYSA-N
ID: 121900
SMILES:C1(C)=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC(C)(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.365
InChIKey:ZZENIUIHIUNPST-UHFFFAOYSA-N
ID: 121901
SMILES:C1(Oc2c(OC)cc(CCCC)cc2)C(C(C)=C)CCC2=CC(C(C(C)(O)C)O)=CC(=O)C12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -16.015
InChIKey:JLTQIZLRBHADLT-UHFFFAOYSA-N
ID: 121902
SMILES:C1(=O)C2=C(CC(=C)C1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.13
InChIKey:XWUFUHKMGAVMPY-UHFFFAOYSA-N
ID: 121903
SMILES:CC(C)C1C2(O)CC(C)CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 316.485
CB1 binding score: -15.519
InChIKey:KLZWFZRFMDCBBX-UHFFFAOYSA-N
ID: 121904
SMILES:c1(O)cc(C(C)=[N+]=[N-])c2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.386
CB1 binding score: -13.522
InChIKey:GKGDXNOHZJKWKJ-UHFFFAOYSA-N
ID: 121905
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.001
InChIKey:BYIBRNKVIKEKFT-UHFFFAOYSA-N