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Molecule Identifiers
Molecular Properties

ID: 37906

SMILES:
c1(O)c2c(cc(O)c1C)C1C=C(C)C(=O)CC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -15.951

InChIKey:
GQWZKNXTLCFVFV-UHFFFAOYSA-N

ID: 37907

SMILES:
CC1(O)C2C(c3c(O)cc(CCCCC)cc3O1)C(C(C)C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.155

InChIKey:
OPNOZTFDOMZWBU-UHFFFAOYSA-N

ID: 37908

SMILES:
C(C1CCC(=C)CC1c1c(O)cc(CCCCC)cc1)(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.346

InChIKey:
CDVZJKVWGVBNFH-UHFFFAOYSA-N

ID: 37909

SMILES:
CC1(C)CC(OC(=O)C)CC2(C)c3c(O)cc(CCCCC)cc3OC(c3c(OC)cccc3)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -14.545

InChIKey:
BKDFNXYMOGGCQI-UHFFFAOYSA-N

ID: 37910

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.972

InChIKey:
NPEOBQQHMWEEER-UHFFFAOYSA-N

ID: 37911

SMILES:
c1(CCCCCC)cc2c(c(OC)c1)-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -16.751

InChIKey:
QCDUKVGBYIBTSJ-UHFFFAOYSA-N

ID: 37912

SMILES:
c1(O)cc(C)cc2c1C1C(C(O)(C)C)C3C1C(OC3=O)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.315

CB1 binding score: -14.742

InChIKey:
ZVGCQZAFDRZXJR-UHFFFAOYSA-N

ID: 37913

SMILES:
C1(C(=C)C)CCC(C)(C)Oc2cc(C(CCCCC)C)cc(OC3=CC(c4ccccc4)OC3=O)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.668

CB1 binding score: -15.094

InChIKey:
OAPJXKWEXFTDSA-UHFFFAOYSA-N

ID: 37914

SMILES:
c1(CO)cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.303

InChIKey:
MTKKHOSJZOYPPN-UHFFFAOYSA-N

ID: 37915

SMILES:
CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 37916

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1c-2c(OC)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.356

CB1 binding score: -17.579

InChIKey:
UEXVDOATPCCQRD-UHFFFAOYSA-N

ID: 37917

SMILES:
C(=C)(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CCC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.046

InChIKey:
FLSBTGUZEISBDT-UHFFFAOYSA-N

ID: 37918

SMILES:
CC(CCC=C(C)CCC=C(C)C)=CCc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 37919

SMILES:
CC(=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 37920

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.423

InChIKey:
MRLLOLSGDYQJHB-UHFFFAOYSA-N

ID: 37921

SMILES:
Cc1c(O)c(O)c2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.994

InChIKey:
KDYVWYAOPYRLRE-UHFFFAOYSA-N

ID: 37922

SMILES:
CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

ID: 37923

SMILES:
C1C2C(C)(O2)CCC2C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.601

InChIKey:
DNJIZVHKLOZUAL-UHFFFAOYSA-N

ID: 37924

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(O)=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 37925

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCc4ccc(O)cc4)cc(O)c3C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -16.996

InChIKey:
DDTKDQHWVPTYKE-UHFFFAOYSA-N

ID: 37926

SMILES:
C(CCC)CCc1cc(O)c(CC=C(C)C)c(OC(=O)C)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.014

InChIKey:
YCLLUFGEMWQRQC-UHFFFAOYSA-N

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37906–37926 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties