ID: 42022
SMILES:Cc1cc2c(c(O)c1)C1C(C(C)CCC(C(=C)C)O)C(O2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 302.414
CB1 binding score: -14.386
InChIKey:PVOPGWUMKHCBCJ-UHFFFAOYSA-N
ID: 42023
SMILES:CC(CC(=O)C=C(C)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.477
CB1 binding score: -17.854
InChIKey:QZSBEPASIIIAGQ-UHFFFAOYSA-N
ID: 42024
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CC(O)C1C(C)(C)O2)(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.49
InChIKey:HWGMNOLWEGNGFX-UHFFFAOYSA-N
ID: 42025
SMILES:C1(=O)C2C3(c4c(O)cc(CCCCC)cc4OC2(C)C)CC(C)(O)C(C3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: Not available
InChIKey:ZUYIYXOTERALRH-UHFFFAOYSA-N
ID: 42026
SMILES:O1C2=C(CC1)C1C(c3c(O)cc(CCCCC)cc3O2)C(C(C)C)CCC1(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.717
InChIKey:CDTZWCOMXNJGPR-UHFFFAOYSA-N
ID: 42027
SMILES:C1C2C3(C(C)CCC(C(C)C)C31)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.11
InChIKey:AHZNAOCGDGGRQW-UHFFFAOYSA-N
ID: 42028
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 42029
SMILES:CC1(C)Oc2cc(O)cc(O)c2C2C=C(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 42030
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -18
InChIKey:CMKJOGHDCLLJHM-UHFFFAOYSA-N
ID: 42031
SMILES:C1(CC)=CC2C(C(C)(C)Oc3cc(O)c(=O)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.685
InChIKey:RTTOSEVBTOGBCH-UHFFFAOYSA-N
ID: 42032
SMILES:c1c(COC(=O)C)c2c(cc1OC)OC(C)(C)C1C2CC(C)=CC1c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.522
CB1 binding score: -14.967
InChIKey:SMAKODICLRCGMB-UHFFFAOYSA-N
ID: 42033
SMILES:C(CCC)Cc1cc(O)c(C2CC(C(O)=O)=CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.037
InChIKey:MTPWTPXNOFWCTL-UHFFFAOYSA-N
ID: 42034
SMILES:c1c(O)cc(CC=C(C)C)c(O)c1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 248.366
CB1 binding score: -17.913
InChIKey:OZBDRWFBMCCJHI-UHFFFAOYSA-N
ID: 42035
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 42036
SMILES:c1(OC)cc(C)cc2c1C1CC(C(C)(C)O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -15.562
InChIKey:MKIKGCBAKQAOEQ-UHFFFAOYSA-N
ID: 42037
SMILES:C(C)(C)=Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -16.734
InChIKey:BIKKMKWQKFRJNO-UHFFFAOYSA-N
ID: 42038
SMILES:CC(=C)C1C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 42039
SMILES:CC12C3CCC(C)C3C(c3c(cc(CCCCC)cc3O)O1)OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.791
InChIKey:NSWMVZTUCPSUAJ-UHFFFAOYSA-N
ID: 42040
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(O)cc(C)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 42041
SMILES:O1CC(CO)Cc2c(O)c(C=O)c(CCCCC)cc21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -14.041
InChIKey:CAJRTLLYSOSJLW-UHFFFAOYSA-N
ID: 42042
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(C)C1OC1C(C(C)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.994
InChIKey:BKBFQETVHYIJAJ-UHFFFAOYSA-N