ID: 30661
SMILES:c1c(-c2c(O)cc(CCCCC)cc2O)cc(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.71
InChIKey:USKDEEOMGOJHQR-UHFFFAOYSA-N
ID: 30662
SMILES:C1(C)(C)Oc2cc(C)c(OC)cc2C2=C1C=CC(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -15.929
InChIKey:PDCGGNSTYUGPJB-UHFFFAOYSA-N
ID: 30663
SMILES:CC(=CCCC1(C)Oc2cc(O)cc(CCC)c2C=C1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -17.421
InChIKey:CCYAMBGEJFRBRV-UHFFFAOYSA-N
ID: 30664
SMILES:CCCCCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.264
InChIKey:JSQZQNWIVUSPJH-UHFFFAOYSA-N
ID: 30665
SMILES:C(c1ccccc1)C1C2C=C(C)CCC2C(C)(C)Oc2cc(CCCCC)ccc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.622
CB1 binding score: -15.987
InChIKey:ZMRGFJONIUVHSV-UHFFFAOYSA-N
ID: 30666
SMILES:c1(O)c(C2CC(C(C)C)=C(OC)C(O)C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.452
InChIKey:WKPWFESTEKMNFF-UHFFFAOYSA-N
ID: 30667
SMILES:CC12CC3C(C(C)(C)Oc4cc(CCCCCC)cc(O)c41)C2C(C)(CCC3)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.759
InChIKey:PYZBKAWAWDOKHA-UHFFFAOYSA-N
ID: 30668
SMILES:c1(CC=C(C)CCC=C(C)C)cc(O)c(C(O)=O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.991
InChIKey:OKTJCFKETUQTOK-UHFFFAOYSA-N
ID: 30669
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(CO)=CCC1C2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -12.301
InChIKey:SFCQOZPEDQSUBR-UHFFFAOYSA-N
ID: 30670
SMILES:C1C2=C(c3c(cc(CCCCC)c(O)c3O)OC2(C)C)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.615
InChIKey:KNWIFGKEFSTDBU-UHFFFAOYSA-N
ID: 30671
SMILES:O=C(c1c(O)cc(O)c2c1OC(C)(C)C1CC=C(C)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.717
InChIKey:KDBSDNJQJLQJIT-UHFFFAOYSA-N
ID: 30672
SMILES:CC1=CC2c3c(cc(CCC)cc3O)OC1(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.19
InChIKey:AXZXHFRAEDEHHR-UHFFFAOYSA-N
ID: 30673
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CC(C)(C)O2)C2(C)CCC1(OO)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: Not available
InChIKey:BQPVKTFZOYRUMJ-UHFFFAOYSA-N
ID: 30674
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -18.455
InChIKey:AKZMYJAEOJLEIA-UHFFFAOYSA-N
ID: 30675
SMILES:c1c(C(=O)C(C(C)C)=O)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.089
InChIKey:VEDLCIKWYCZDJH-UHFFFAOYSA-N
ID: 30676
SMILES:C1C2(C)C(C)(C(C)(CC=O)C1=O)CC(c1c(O)c(C(=O)O)c(CCCCC)cc1O)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -14.691
InChIKey:NEWDMTPZWLWHLQ-UHFFFAOYSA-N
ID: 30677
SMILES:C(CCl)N(CC)CCOc1cc(CCCCC)cc(O)c1CC1C(=C)CCC2C1(C)CCC(=O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.208
CB1 binding score: -16.527
InChIKey:PRYAYXNFMXFQGF-UHFFFAOYSA-N
ID: 30678
SMILES:C1C2C(O)(c3c(cc(CCCCC)cc3O)O1)CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.015
InChIKey:CJGBCFMMSNVARG-UHFFFAOYSA-N
ID: 30679
SMILES:C(=Cc1c(O)cc(CCCCC)cc1O)C=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.504
InChIKey:LRMCCKFMMDLVOO-UHFFFAOYSA-N
ID: 30680
SMILES:CCCCCc1cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 30681
SMILES:CC12C(=Cc3c(O)c(C(=O)OC)c(CCCCC)cc3O1)C(C(C)=C)C1C(C(C)C)CC=C(C)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.7
CB1 binding score: -16.527
InChIKey:CIAULEWXOUWSBF-UHFFFAOYSA-N