ID: 90028
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 90029
SMILES:c1(C2=C(C(C)(C)C)C(=O)CC2C)cc(C)c2[nH]c(c(C)c1-c1c3c(cc(C)c1)OC(C)(CCC=C(C)C)C=C3)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 535.772
CB1 binding score: -16.403
InChIKey:JSZMPCHSMFLMFM-UHFFFAOYSA-N
ID: 90030
SMILES:CC(=C)C1C(c2c(O)cc(CCCC)cc2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -19.478
InChIKey:UELYWRAKVJEDIL-UHFFFAOYSA-N
ID: 90031
SMILES:OC(Cc1cc(OC)c2c(c1)CC(O)C(C)(C)O2)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.418
CB1 binding score: -15.889
InChIKey:YIVZJFHEFGUDIN-UHFFFAOYSA-N
ID: 90032
SMILES:CC(O)(C1Oc2c3c(cc(CCCCC)c2)OC(C)(C)C2C3CC(C)=CC2C1=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.836
InChIKey:FCPZUEWEEIMWIC-UHFFFAOYSA-N
ID: 90033
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C2C(O)(C)CCC2C(C)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.936
InChIKey:QYBLRUMFXCNLLA-UHFFFAOYSA-N
ID: 90034
SMILES:C1CC(=C)CCC12C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.631
InChIKey:LNOFCBBVUGOIPP-UHFFFAOYSA-N
ID: 90035
SMILES:C(=CC)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.253
InChIKey:XVXPIHYRYALXDI-UHFFFAOYSA-N
ID: 90036
SMILES:c1(OC)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -12.874
InChIKey:BNMBEZIKEKYQRR-UHFFFAOYSA-N
ID: 90037
SMILES:CCCCCc1cc2c(c(O)c1)C1C=C(C(=O)O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 90038
SMILES:C1(C)=C(O)CC2C3(C(=O)OC(c4c(O)cccc4)C3(CCC(=O)C)C)OC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -15.075
InChIKey:HXTWVYZRIQOMJY-UHFFFAOYSA-N
ID: 90039
SMILES:c1(C(=O)O)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -18.309
InChIKey:KYBSQVMEBKBMOK-UHFFFAOYSA-N
ID: 90040
SMILES:c1cc(C(OC2C3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C3C=C(C)CC2)=O)ccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.603
CB1 binding score: -16.124
InChIKey:AIMCLTDMFANJBO-UHFFFAOYSA-N
ID: 90041
SMILES:c1cc(C2CC(C)=CC(c3c(OC)ccc(CCN(C)C)c3)C2C(=C)C)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 389.583
CB1 binding score: -15.012
InChIKey:CNUSCWGSNYMFHV-UHFFFAOYSA-N
ID: 90042
SMILES:CC1C2=C(c3c(O)cc(CCCC)cc3OC2(C)C)C=C(C(OC)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.674
InChIKey:PTZIXKKMDFHZSD-UHFFFAOYSA-N
ID: 90043
SMILES:c1(CCCCC)c(O)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.178
InChIKey:QGOQBAPWMFNGTE-UHFFFAOYSA-N
ID: 90044
SMILES:COC(C(=C)C)CCC1(C)C2C3(C(C)=CC2)C(c2c(O)cc(CCCCC)cc2O1)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -11.928
InChIKey:PZUJQISKKLSEHS-UHFFFAOYSA-N
ID: 90045
SMILES:C1CC(O)(C)CC2C1C(C)(C)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.446
InChIKey:YURNZQJCLPCQIP-UHFFFAOYSA-N
ID: 90046
SMILES:C(c1cc(O)c(CC2C=C(CCC=C(C)C)CC2)c(O)c1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.102
InChIKey:RPIXADKOPRRKAI-UHFFFAOYSA-N
ID: 90047
SMILES:CC1=CCC2C3C(C)(CCC1C2(C)C)Oc1c(c(O)c(C(=O)O)c(CCCCC)c1)-3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.086
InChIKey:CGBXGBUNHHGMRM-UHFFFAOYSA-N
ID: 90048
SMILES:O1C(C)(C)C2Cc3c(cc(CCCCC)c(C=O)c3O)OC2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.12
InChIKey:WFVAPGOFNDNOAI-UHFFFAOYSA-N