ID: 55210
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C1C(O)C=C(C)C(O)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.196
InChIKey:YRCWFFZUPNSDLK-UHFFFAOYSA-N
ID: 55211
SMILES:c1cc(C)c2c(c1)-c1cc(CCCC)ccc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.411
CB1 binding score: -16.492
InChIKey:DLRTXNFJPCNWEF-UHFFFAOYSA-N
ID: 55212
SMILES:c12c3c(c(O)c(OC)c1C=CC(C)(O)C2)C1C(C(C)(C)O3)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.774
InChIKey:YVQACJGVJZAJLC-UHFFFAOYSA-N
ID: 55213
SMILES:C(CCCCCCC#N)c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 351.534
CB1 binding score: -14.148
InChIKey:AINRTVSLHWCFDV-UHFFFAOYSA-N
ID: 55214
SMILES:CC1(O)CCC2(O)c3c(cc(CCCCC)cc3O)OC(C)(C1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.589
InChIKey:MKAGIPBYYNAAKF-UHFFFAOYSA-N
ID: 55215
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 55216
SMILES:CSc1cc(CCCCC)cc(O)c1C1(C)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.542
CB1 binding score: -11.535
InChIKey:QRWGSYKATNPJLZ-UHFFFAOYSA-N
ID: 55217
SMILES:Cc1cc2c(O)c(C)cc3cc(CC)cc(c13)OC2(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.502
CB1 binding score: -15.512
InChIKey:DCZCUBDTRHIVIQ-UHFFFAOYSA-N
ID: 55218
SMILES:c1(O)c2c(cc(COC)c1)OC(C)(C)c1c-2c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -12.597
InChIKey:UNBQKPDAPPFACC-UHFFFAOYSA-N
ID: 55219
SMILES:CC(=C)C1CCC2(C)C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.123
InChIKey:ABGFREZKMCOTRK-UHFFFAOYSA-N
ID: 55220
SMILES:C1(O)Oc2cc(CCCCC)cc(O)c2C2C3C(C)(CCC3C1(C)O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -14.908
InChIKey:KLQFNVDFBLKPER-UHFFFAOYSA-N
ID: 55221
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55222
SMILES:C(CCCc1cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1C(O)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 55223
SMILES:CC12CC3C(=C)C(O)CCC(C)CC(C1=C(C)CC2)Oc1c3c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -15.781
InChIKey:IZIUUYAFZKYLQZ-UHFFFAOYSA-N
ID: 55224
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)CCC1(O)C(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.801
InChIKey:WKDHWWHCEATAEY-UHFFFAOYSA-N
ID: 55225
SMILES:C12c3c(cc(C(C)(C)CCCC(CC)O)cc3C)OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.485
InChIKey:VTHLUKKKPCBCQS-UHFFFAOYSA-N
ID: 55226
SMILES:c12c(c(C(=O)O)c(O)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -16.986
InChIKey:OGEMOWBIBVHCNF-UHFFFAOYSA-N
ID: 55227
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(O)CCC1C(CCC=C(C)C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.21
InChIKey:JVZOZZUGRKCFIN-UHFFFAOYSA-N
ID: 55228
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55229
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CCC(C)=CCCC(C)=C1)C(C)(C)O2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.669
CB1 binding score: -12.5
InChIKey:UGKOLBORFOVBQB-UHFFFAOYSA-N
ID: 55230
SMILES:O1c2c(c(O)c(CC(C)OC(=C)C)c(O)c2)C2CC3C1(C)CCC3(C(=C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: Not available
InChIKey:GSUUMJCMWCYDIZ-UHFFFAOYSA-N