ID: 34777
SMILES:c12cc(CCCCCC)cc(c1Cl)OC1(C(=C)C)CC2C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.941
CB1 binding score: -15.732
InChIKey:YQANXLMBIMJXLX-UHFFFAOYSA-N
ID: 34778
SMILES:CC(CCC(C)(C(=O)O)C)c1cc2c(cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.651
InChIKey:HCYSSABLNQEMMX-UHFFFAOYSA-N
ID: 34779
SMILES:CC(CC(c1c(OCc2ccc(C(C)(C)CCCCC)cc2)cc2c(c1O)OC(C)(C)C1C2C=C(C)CC1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.792
CB1 binding score: -16.514
InChIKey:HOSNLRFDIGYEKX-UHFFFAOYSA-N
ID: 34780
SMILES:C(C)CCc1cc2c(c(O)c1)C1C3C(O)(C(C)(CC#CCC1)OC3)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -14.47
InChIKey:KCIXISFPFZXCNX-UHFFFAOYSA-N
ID: 34781
SMILES:c1(C2C=C(C)CCC2C(=C)C)ccc(C)cc1OC(C(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.056
InChIKey:TWIGYFGISVYRBS-UHFFFAOYSA-N
ID: 34782
SMILES:C(CCC(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N
ID: 34783
SMILES:CC1(C)C2CCC(C)=CC2c2c(cccc2)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 34784
SMILES:c12cc(CCCC)c3c(c1O)OC(C)(C)C1C3C(O2)C(O)(C)C2OC2C1OC(=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.486
CB1 binding score: -13.858
InChIKey:WLVOLMNEPBICEI-UHFFFAOYSA-N
ID: 34785
SMILES:C1(C)(C)Oc2cc(C)c(O)cc2C2CCC(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -17.33
InChIKey:LCSANQKXWOFOPJ-UHFFFAOYSA-N
ID: 34786
SMILES:CC(=O)C(C(=O)NC=O)C1C(OCc2ccccc2)C=C(C)CC1c1c(O)cc(CCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 493.6
CB1 binding score: -14.453
InChIKey:ZPOJXQKXVVPSOK-UHFFFAOYSA-N
ID: 34787
SMILES:c12c(cc(C)cc1O)OC(C)(C)CCC2C(C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids;Miscellaneous meroterpenoids
MW: 264.365
CB1 binding score: -16.922
InChIKey:XDKCTZXYFMRKLI-UHFFFAOYSA-N
ID: 34788
SMILES:COC(=O)c1cc(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)cc1CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -16.541
InChIKey:RLIWTTSICYAMGN-UHFFFAOYSA-N
ID: 34789
SMILES:C1(C)CC2C(c3c(O)cc(CCC)cc3OC2(C)C)C(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.578
InChIKey:ZSLQMJYZQPKIAC-UHFFFAOYSA-N
ID: 34790
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -18.466
InChIKey:OOSGYAFEZCZRRA-UHFFFAOYSA-N
ID: 34791
SMILES:Oc1c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 34792
SMILES:CC1(C)CC2c3c(O)cc(C)c(C=O)c3OC2(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.305
CB1 binding score: -16.015
InChIKey:JHMXMJKYNBTWIK-UHFFFAOYSA-N
ID: 34793
SMILES:C12CC(C)(C(C)CCC(=O)C(C)=C)CCC1(C)Oc1c(c(OC(=O)C)c(OC(=O)C)cc1COC(=O)C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 544.641
CB1 binding score: -15.389
InChIKey:HJRPBALSORLHKO-UHFFFAOYSA-N
ID: 34794
SMILES:C1(c2c(O)ccc(CCC(C(CC=C(C)C)=O)C)c2)C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -12.668
InChIKey:CUHPSYGQZNQJGX-UHFFFAOYSA-N
ID: 34795
SMILES:CC(=CCCC(C)=CCCC1(C)Oc2cc(O)cc(CCC(CC)O)c2C=C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -17.019
InChIKey:RJNSCKSAFPPYBC-UHFFFAOYSA-N
ID: 34796
SMILES:C1(C)=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 34797
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N