ID: 38998
SMILES:C1CC(C)=CCCC2(C)Oc3cc(CCCCC)cc(O)c3C2C2C(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.109
InChIKey:LLSPNABIMWNLQC-UHFFFAOYSA-N
ID: 38999
SMILES:C(C)(=CCCC1(C)C(O)Cc2c(-c3c(O)cccc3)cc(CCCCCO)cc2O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.03
InChIKey:BDKRBQDQSUYLON-UHFFFAOYSA-N
ID: 39000
SMILES:c1(CCC)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(CO)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -18.304
InChIKey:GDXVQTINWSVWQI-UHFFFAOYSA-N
ID: 39001
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 39002
SMILES:CC1(CCC=C(C)C)Oc2c(c(O)cc(CCCCCC)c2)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.458
InChIKey:LZFSGTNLAZDDKK-UHFFFAOYSA-N
ID: 39003
SMILES:O=Cc1c(CCCCC)cc(OC)c(CC=C(C)CCC=C(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.787
InChIKey:XJNFRBZOLNAUMW-UHFFFAOYSA-N
ID: 39004
SMILES:C12CCC(C)=CCC(C)(C)C=CCC1(C)Oc1cc(CCCCC)c(C(=O)O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -12.439
InChIKey:JNIQFZLDSVCFFX-UHFFFAOYSA-N
ID: 39005
SMILES:COCCC=Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.722
InChIKey:DRDWZAGQWBNWMI-UHFFFAOYSA-N
ID: 39006
SMILES:C(c1c(CCCC)cc(O)c(CC=C(C)CC(C=C(C)C)=O)c1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.451
CB1 binding score: -15.929
InChIKey:IRXHEJGCJKCOSK-UHFFFAOYSA-N
ID: 39007
SMILES:c12cc(CCC(O)=O)ccc1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.62
InChIKey:VNTALPOCBNSDMN-UHFFFAOYSA-N
ID: 39008
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 39009
SMILES:C123CC(CC1)C(C)(C)C2(C=C(C)C)c1c(cc(CCCCC)c(C(=O)OC(C)=O)c1O)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -14.254
InChIKey:FKMNLQIJULOSNZ-UHFFFAOYSA-N
ID: 39010
SMILES:OC1CC2(C)CC(c3c(O)cc(CCCC)cc3O)C1C(C)CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -13.874
InChIKey:DVKMSIYNYSMWJR-UHFFFAOYSA-N
ID: 39011
SMILES:O=C(C)Oc1c2c(c(OC(=O)C)c(-c3c(O)cc(CCCCC)cc3OC)c1)OC(CCC=C(C)C)(C)C2CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 592.773
CB1 binding score: -14.607
InChIKey:YUAURBSQWDDYLN-UHFFFAOYSA-N
ID: 39012
SMILES:CC1=CC2c3c(OC(=O)C)cc(CCCCC)cc3OC(C(C)C)(CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: Not available
InChIKey:XUCLOAWLRXQWDD-UHFFFAOYSA-N
ID: 39013
SMILES:C(C=C(C)C)C1C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.341
InChIKey:NVALWUGIBRTVBR-UHFFFAOYSA-N
ID: 39014
SMILES:C(Cc1c(CCCCC)cc2c(c1O)C=CC(C)(C)O2)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.605
InChIKey:VETYAXBKPXBMKT-UHFFFAOYSA-N
ID: 39015
SMILES:OC(C)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.582
InChIKey:RYBCXAHJHZXWFZ-UHFFFAOYSA-N
ID: 39016
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 39017
SMILES:C12CC=C(C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 39018
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)CC(O)(C)C21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -13.126
InChIKey:KTLSLASAWIQSTD-UHFFFAOYSA-N