ID: 65647
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 65648
SMILES:Oc1cc(CCCC)cc2c1C1C3C(C(C)(O)CCC1C(C)C)CCC3(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 386.576
CB1 binding score: -14.319
InChIKey:DMYAYOGLQFVLBO-UHFFFAOYSA-N
ID: 65649
SMILES:CC1=CC2C(C(C)(C)Oc3ccc(C(C)(C)C)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.254
InChIKey:SCUPSETZFCSVHX-UHFFFAOYSA-N
ID: 65650
SMILES:C(CC=C(C)C)C(=CCCC(C(O)=O)=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.602
InChIKey:QPJZPJUSSQKOST-UHFFFAOYSA-N
ID: 65651
SMILES:c1c2c(c(CCCCCC)cc1O)OC1(C)CC2C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.413
InChIKey:PJIXGMALBSDAPR-UHFFFAOYSA-N
ID: 65652
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.03
InChIKey:BHPMOVGBWLOFEZ-UHFFFAOYSA-N
ID: 65653
SMILES:CC1(C)c2c(cc(C)cc2)-c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 65654
SMILES:CC(=CCCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -19.13
InChIKey:IWSASXREQYAISF-UHFFFAOYSA-N
ID: 65655
SMILES:C1C(=O)C(CCC(C)C)C(CC)C2Oc3c(cc(CCCCC)cc3OC)OC12CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.532
InChIKey:LWGFXLMUOPWRQX-UHFFFAOYSA-N
ID: 65656
SMILES:C12c3c(O)cc(CCCCC)c(OC(C)=O)c3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.321
InChIKey:VEZVRMSYECJVQE-UHFFFAOYSA-N
ID: 65657
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC2C)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.688
InChIKey:MBLHCEAGASIBJD-UHFFFAOYSA-N
ID: 65658
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)(O)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.1
InChIKey:TXGFTFSVQKYNOL-UHFFFAOYSA-N
ID: 65659
SMILES:C12C(C)(CCC=C(C)C)CC=C(C)C1c1cc(O)cc(C)c1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -16.069
InChIKey:ATGKXGWFHLVKOF-UHFFFAOYSA-N
ID: 65660
SMILES:CC1CC2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.39
InChIKey:XYVYYOIVTVDZLR-UHFFFAOYSA-N
ID: 65661
SMILES:C12(C)Oc3c(c(O)c(C(O)=O)c(CCC)c3)C(CC=C(CCC=C(C)C)C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.409
InChIKey:AGUYPORVINEPOK-UHFFFAOYSA-N
ID: 65662
SMILES:C(C1CCCC(C=O)C12c1c(cc(CCCC)cc1O)OC2(C)C)(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.793
InChIKey:KPHRZIUNYHUSDD-UHFFFAOYSA-N
ID: 65663
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.871
InChIKey:HLOAIJZUTIQFKA-UHFFFAOYSA-N
ID: 65664
SMILES:CC1(C)C2CC(OO)C(C)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.249
InChIKey:JIZOVHQYHQNBPI-UHFFFAOYSA-N
ID: 65665
SMILES:c12c(cc(O)cc1O)OC(C)(C)C(OC(=O)C)CCC1C(C)(C2)Oc2c(CCC)cc(O)cc2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.589
CB1 binding score: -11.896
InChIKey:KRWKTOOHEGGDRM-UHFFFAOYSA-N
ID: 65666
SMILES:CC(C)=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.089
InChIKey:MXHIJQHAYHJSTF-UHFFFAOYSA-N
ID: 65667
SMILES:C1=C(C)C2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.334
InChIKey:IIGXNBAXTHFKRX-UHFFFAOYSA-N