ID: 53089
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 53090
SMILES:c1c(C)cc(OCCC)c(C2C(C(=C)C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.257
InChIKey:FHFIRUIKDFPVAT-UHFFFAOYSA-N
ID: 53091
SMILES:C1(=O)C2=CC(CC=C1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -12.321
InChIKey:CRGRXMKAVYKWBM-UHFFFAOYSA-N
ID: 53092
SMILES:C12COc3cc(C)cc4c3C1C(C(C)(O4)C)CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.263
InChIKey:FDNAJFUFZFMPAS-UHFFFAOYSA-N
ID: 53093
SMILES:C(=CCCC(C)=CCc1c(O)c(C(OC)=O)c(O)c2c1OC1C2C2C(CCC(C)=C2)C(C)(C)O1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.644
CB1 binding score: -15.12
InChIKey:BWGVALOLSFXSBJ-UHFFFAOYSA-N
ID: 53094
SMILES:Cc1cc(O)c(C(C)CC)c(Cl)c1-c1c2c(c(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 511.146
CB1 binding score: -15.47
InChIKey:QLOOOJUDCNVGFF-UHFFFAOYSA-N
ID: 53095
SMILES:O=C(OC)c1c(O)c2c(cc1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -16.109
InChIKey:HCVQNFRSSBTPDB-UHFFFAOYSA-N
ID: 53096
SMILES:C1(C(C)=C)Cc2c(c(C(=O)OC)c(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.282
InChIKey:WDXCQQWOLQOXHM-UHFFFAOYSA-N
ID: 53097
SMILES:c1(O)cc(CCCCC)cc2c1C1C(CCC(COC(=O)C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -19.773
InChIKey:ILHSUWMZKIAMCQ-UHFFFAOYSA-N
ID: 53098
SMILES:C1CC(C)(C)C2(C)CCC(C)=CC2c2c(O)c(O)cc(C(=O)CC(=CCc3c(O)c(C)cc(OC)c3)C)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 518.694
CB1 binding score: -15.519
InChIKey:WLEUNDNGIPLOMZ-UHFFFAOYSA-N
ID: 53099
SMILES:COC(c1ccc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -16.583
InChIKey:MRKQYESHYJFAHW-UHFFFAOYSA-N
ID: 53100
SMILES:C1=C(C)CCC2C(C)(C)Oc3ccc(O)cc3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.01
InChIKey:MMHWWLXBHPPCDZ-UHFFFAOYSA-N
ID: 53101
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C=C(COC2C(O)C(OC3C(O)C(O)C(O)CO3)C(O)C(COC(=O)C(C)=CC)O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 706.826
CB1 binding score: -15.562
InChIKey:IPJZGVOWJQKOFT-UHFFFAOYSA-N
ID: 53102
SMILES:CC(C1=C(O)C2C(C)(CCCC2(C)C)Oc2c1cc(CCCCC)c(OC)c2O)OC(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.655
CB1 binding score: -14.847
InChIKey:OYHIYGOHOFSUAH-UHFFFAOYSA-N
ID: 53103
SMILES:c1c(CCCCC)cc(O)c2c1OC(C)(C)C1CC=C(C)C(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 53104
SMILES:C1(C(C)C)C(c2c(O)c(-c3ccc(C)cc3)cc(CCCC)c2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 376.584
CB1 binding score: -16.125
InChIKey:BUMYFQVONLSFED-UHFFFAOYSA-N
ID: 53105
SMILES:CC(CCCc1cc(O)c(CC=C(C)C)c(OC)c1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -16.015
InChIKey:VMEMPHMBKCJEHV-UHFFFAOYSA-N
ID: 53106
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 53107
SMILES:COc1c(C(C(C)CC)=O)c(O)c2c(c1O)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.172
InChIKey:DHRTXJZZUQNFMD-UHFFFAOYSA-N
ID: 53108
SMILES:c1c(O)c2c(cc1CCCCC)C(=O)C13OC2(OCC3=O)CC(C(O)(C)C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.432
CB1 binding score: -17.186
InChIKey:KCSQLHCDLIATSQ-UHFFFAOYSA-N
ID: 53109
SMILES:c1c(COC)c(C2C=C(C)CCC2C(=C)C)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -13.845
InChIKey:NSZMYGZBCHOMNN-UHFFFAOYSA-N