ID: 56071
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(OC)=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:SZHQBBUREXLHOC-UHFFFAOYSA-N
ID: 56072
SMILES:Oc1cc(CCCC)cc2c1C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.903
InChIKey:DQIJFJFAQLIKDN-UHFFFAOYSA-N
ID: 56073
SMILES:CC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 56074
SMILES:C=CC1(C)CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -15.157
InChIKey:IBACCHRKCURVMZ-UHFFFAOYSA-N
ID: 56075
SMILES:C(C1=CC2c3c(cc(CCCCC)cc3OC=C(C)C)OC(=O)C2C=C1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -15.201
InChIKey:JWRDZRMWVOPEOH-UHFFFAOYSA-N
ID: 56076
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.71
InChIKey:QQTIDTRRWYIZRE-UHFFFAOYSA-N
ID: 56077
SMILES:CC1(C)Oc2c(c(OC)cc(CCCCC)c2)C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 56078
SMILES:C1(=O)C(=CC)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -14.349
InChIKey:AINXEPUCYTZMCM-UHFFFAOYSA-N
ID: 56079
SMILES:c1(O)cc(CCCC)cc2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.1
InChIKey:IGHPHANYGIPSNW-UHFFFAOYSA-N
ID: 56080
SMILES:c1(CCCC)cc(C2C(C(C)=C)CCC(C)=C2)c(OC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.288
InChIKey:JKCOICVLYDRDMH-UHFFFAOYSA-N
ID: 56081
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C3C=C(C(=O)O)C(C2)C3C1CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.526
InChIKey:VPYCQIKANDWJDY-UHFFFAOYSA-N
ID: 56082
SMILES:Oc1cc(CCC)cc2c1C1CC(C=O)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.399
InChIKey:DJVYNVITKRORPP-UHFFFAOYSA-N
ID: 56083
SMILES:c1(CCC)cc(C2C=C(C)CC(C)C2C(C)C)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 270.46
CB1 binding score: -16.655
InChIKey:HHMQTWILMYMQKV-UHFFFAOYSA-N
ID: 56084
SMILES:C(C)(C)=CCCC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N
ID: 56085
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.51
InChIKey:LVQZQKXEEYFSQO-UHFFFAOYSA-N
ID: 56086
SMILES:C1(OC(C)=O)CC2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.976
InChIKey:PGFFULLVBBCSMB-UHFFFAOYSA-N
ID: 56087
SMILES:C1C2=C(c3c(O)cc(CCCCC)cc3O1)CC(C)C1CC(O)(C(C)C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.044
InChIKey:LRWVBIJMOCUEBX-UHFFFAOYSA-N
ID: 56088
SMILES:C1C(C)(O)c2c(cc(CCCCC)cc2O)OC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: Not available
InChIKey:XZUTVBPHCFMSJW-UHFFFAOYSA-N
ID: 56089
SMILES:CC(=CCCC(=C)C=CCC(=CCc1c(O)c(C)cc(O)c1)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.881
InChIKey:XJGZQRUFAFFUAF-UHFFFAOYSA-N
ID: 56090
SMILES:O(c1c(OC)c(O)cc(CCc2ccc(O)c(C3C(C(C)=C)CCC(C)=C3)c2)c1)C(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.548
CB1 binding score: -15.187
InChIKey:NOZMHQXBOMMSIM-UHFFFAOYSA-N
ID: 56091
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.832
InChIKey:AFNHADXRZFCASY-UHFFFAOYSA-N