ID: 54979
SMILES:CC1=CCCC(C)=CC(c2c(O)cccc2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -15.769
InChIKey:ABTWUQMNSVFAOJ-UHFFFAOYSA-N
ID: 54980
SMILES:c1(O)c2c(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: 54981
SMILES:C(C(O)C)CC1C(C)(C)Oc2cc(OC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 266.337
CB1 binding score: -15.338
InChIKey:DLSNTXYEPXKNAM-UHFFFAOYSA-N
ID: 54982
SMILES:CC1(C)CCCC(C=C)C1c1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.12
InChIKey:WKDVXMGKPWYNPN-UHFFFAOYSA-N
ID: 54983
SMILES:C(CC=C(C1C(C(C)C)CCC2(C)Oc3cc(C)cc(O)c3C12)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.21
InChIKey:NFDABGDPRKVCAE-UHFFFAOYSA-N
ID: 54984
SMILES:C1(c2c(O)cc(CCCCC)cc2)C=C(C)CCC1C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.257
InChIKey:KETCUGMUWAEENN-UHFFFAOYSA-N
ID: 54985
SMILES:OCC1C(O)C(O)C(O)C(OC2(C)CCC3C(C)(C)Oc4cc(CCCCC)cc(O)c4C3C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.625
CB1 binding score: -16.232
InChIKey:AWQOMAKHUGRQKO-UHFFFAOYSA-N
ID: 54986
SMILES:c1c(CCC=CC)cc2c(c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -13.768
InChIKey:OYBVMCFLRQQEDA-UHFFFAOYSA-N
ID: 54987
SMILES:CC(=CCC1C(C)(C)Oc2c1c(O)cc(C)c2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 246.35
CB1 binding score: -17.652
InChIKey:FRZIZPCHLXOTOT-UHFFFAOYSA-N
ID: 54988
SMILES:C1(CCCCC)=C(CC=C(C)C)CC2(CC(C(C)=C)C1C)COC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -14.474
InChIKey:CRCLOYOVIKOLHQ-UHFFFAOYSA-N
ID: 54989
SMILES:C1(O)CC(C)C2(Oc3c(c(O)cc(CCC(CCCC(C)C)C)c3)C2O)C(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -13.527
InChIKey:XQWZXTLWKUZVFF-UHFFFAOYSA-N
ID: 54990
SMILES:C1=C(C)CC2(O)C3C4(C1CC(C)C3=O)Oc1c(c(O)cc(CCCCCO)c1)OC4(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -15.697
InChIKey:ZZQZCAKKEZQZEE-UHFFFAOYSA-N
ID: 54991
SMILES:Oc1c(C=O)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -16.425
InChIKey:KLCZDWIMPNHCOA-UHFFFAOYSA-N
ID: 54992
SMILES:o1c(=O)c(C)cc2c1C(=C)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.051
InChIKey:KRKAGYDFVUSSRB-UHFFFAOYSA-N
ID: 54993
SMILES:C(=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)c(O)c1)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -18.085
InChIKey:UHPQVMVEJWPWDW-UHFFFAOYSA-N
ID: 54994
SMILES:Oc1c(CC=C(C)CCC=C(C)C)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.682
InChIKey:LDSLGHZIOIUHGN-UHFFFAOYSA-N
ID: 54995
SMILES:C(C)(C)C1CC(=O)C(=C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.912
InChIKey:ITQNNMJSVIJCEJ-UHFFFAOYSA-N
ID: 54996
SMILES:C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 54997
SMILES:c12c3c(c(CCCCC)cc1O)OC(C)(C=CC=C(C)C)C(O3)CCC1(C)CCC(C(C)C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: -13.196
InChIKey:HAQIWDUYAMBACX-UHFFFAOYSA-N
ID: 54998
SMILES:C1C(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 54999
SMILES:c1(CCCCC)cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N