ID: 39985
SMILES:O=S(=O)(O)OC1CC(C)(CCC=C(C)C)Oc2cc(CCCCC)ccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.549
CB1 binding score: -16.096
InChIKey:KAWIGHKMFPZVOO-UHFFFAOYSA-N
ID: 39986
SMILES:Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)CCC=C(C)C)(C)C(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -15.754
InChIKey:WYLMFMXUIRAVRO-UHFFFAOYSA-N
ID: 39987
SMILES:C(CCCCC(=O)O)CCc1cc2c(c(O)c1)C1C=C(C(=O)O)CCC1C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16
InChIKey:ZZIRZKFQXBYNAO-UHFFFAOYSA-N
ID: 39988
SMILES:C1=C(C)C2C3C(CBr)(C)C3C(c3c(cc(CCCCC)cc3O)O2)C1OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.412
CB1 binding score: -14.747
InChIKey:VSFHJTZZWQAMNY-UHFFFAOYSA-N
ID: 39989
SMILES:C1(C)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(O)OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.322
InChIKey:PNRXXUYRSAQEOX-UHFFFAOYSA-N
ID: 39990
SMILES:O(C)c1c2c(cc(C)c1)OC(CCc1ccccc1)(CC1C=C(C)CCC1C(=C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.632
CB1 binding score: -12.548
InChIKey:SLMNLVAFUMHFOJ-UHFFFAOYSA-N
ID: 39991
SMILES:CC(C)(C1OC2CCC(COc3cc(CC(C)C)c(O)c(O)c3C)=CC2C(C)=CC1)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -15.02
InChIKey:LEKDLOMGYAXAJX-UHFFFAOYSA-N
ID: 39992
SMILES:C12=C(C)C(O)C13C(C(C)(C)Oc1c3c(cc(C)c1)OC)CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.83
InChIKey:CYASASDIKYLKHI-UHFFFAOYSA-N
ID: 39993
SMILES:CC1=CC2C(C2(C)C)CCCC2(C)C(O)C3C(CC2)(Oc2c3c(O)cc(CCCCC)c2)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -14.343
InChIKey:MNJFOODJILAMBQ-UHFFFAOYSA-N
ID: 39994
SMILES:Oc1c(O)cc(C=C)c2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -14.375
InChIKey:BVAONZKXDLPEKJ-UHFFFAOYSA-N
ID: 39995
SMILES:c1(C(=O)C(CC)C)cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -13.196
InChIKey:NTEWUZAYDAFLJK-UHFFFAOYSA-N
ID: 39996
SMILES:C12CC(O)(C)CCC1C(C)(C)Oc1cc(OC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -16.309
InChIKey:QYZHQWBBFWCHMR-UHFFFAOYSA-N
ID: 39997
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 39998
SMILES:C1(O)C(=C)CC=CC(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.104
InChIKey:KXGSUZWZVPQWBX-UHFFFAOYSA-N
ID: 39999
SMILES:C1(CO)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 40000
SMILES:C1CCOC1(c1oc(C(=O)C=C(C)CCC=C(C)C)cc1-c1c(O)cc(CCCCC)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -15.111
InChIKey:JHJWZTCUFKCYBL-UHFFFAOYSA-N
ID: 40001
SMILES:c1(CCCCC)cc2c(c(O)c1C(=O)O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 40002
SMILES:C1(C)C(O)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.898
InChIKey:SUVXTOCRTNYFMQ-UHFFFAOYSA-N
ID: 40003
SMILES:c1(CCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -17.624
InChIKey:RRQVSLLVCGRJNI-UHFFFAOYSA-N
ID: 40004
SMILES:CC(C)=CCC1Oc2cc(CCCCC)cc(O)c2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.624
InChIKey:UXWCLSZQHFEWJN-UHFFFAOYSA-N
ID: 40005
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N