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Molecule Identifiers
Molecular Properties

ID: 138643

SMILES:
CC(=CCc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -16.96

InChIKey:
OILRBKLLZDECGD-UHFFFAOYSA-N

ID: 138644

SMILES:
OC(c1ccc(O)cc1)c1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.457

CB1 binding score: -13.647

InChIKey:
CGMTZLWODDBXRE-UHFFFAOYSA-N

ID: 138645

SMILES:
C12Cc3c(O)ccc(C(=O)CC(CC)CCC=C(C)C)c3OC1(C)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -16.44

InChIKey:
BZMHGXNTXFOBGT-UHFFFAOYSA-N

ID: 138646

SMILES:
C12c3c(OC(=O)C)c(OC(C)=O)cc(CCCCCC)c3CC=C1CC1C(C)(C)C(=C)C(C2(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.7

CB1 binding score: -14.625

InChIKey:
GYUWGYSHGOAXLF-UHFFFAOYSA-N

ID: 138647

SMILES:
C1c2c(CCCCC)ccc(O)c2CC(C(=C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.405

CB1 binding score: -17.633

InChIKey:
QHXFGVPJEJPQOQ-UHFFFAOYSA-N

ID: 138648

SMILES:
C(CC)CCc1cc(O)cc(C2C=C(C)CCC2C(C)=C)c1OC1CC(C)CCC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.723

CB1 binding score: -15.414

InChIKey:
QNVJGDTZCQVOSR-UHFFFAOYSA-N

ID: 138649

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.658

CB1 binding score: -18.429

InChIKey:
YCRMKVLKKBTFTH-UHFFFAOYSA-N

ID: 138650

SMILES:
O1C(C)(C)CC(c2c(O)cc(CCC)cc2O)CC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -14.322

InChIKey:
PQXAXASIEREDFK-UHFFFAOYSA-N

ID: 138651

SMILES:
O1c2cc(CCCCC)cc(O)c2C=CC1(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 138652

SMILES:
CC(C1C(O)CC(C)CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -15.527

InChIKey:
NOUJIIJEKXXADS-UHFFFAOYSA-N

ID: 138653

SMILES:
c1c(O)cc2c(c1)OC(C)(C)C1C2CC(C)C(=O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.138

InChIKey:
WZJGKXVSMHYLQM-UHFFFAOYSA-N

ID: 138654

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.202

InChIKey:
PIKJJCCQEXSBOO-UHFFFAOYSA-N

ID: 138655

SMILES:
C(CCC)c1cc(O)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.763

InChIKey:
OMUWRUKONNMYKD-UHFFFAOYSA-N

ID: 138656

SMILES:
c1(O)c(CC=C(CCC(O)C2(C)C(OC(C)=O)CCC(C)(C)O2)C)cc(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.546

CB1 binding score: -13.312

InChIKey:
OBLRCXGNMMNGPX-UHFFFAOYSA-N

ID: 138657

SMILES:
C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 138658

SMILES:
C(CC=C(C)CCC=C(C)C)C1(C)CC(c2c(O)cc(C)cc2O)C=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.429

InChIKey:
BSHAKRILZXLRFG-UHFFFAOYSA-N

ID: 138659

SMILES:
C1CC(C(=C)C)CC2C1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
KKGGNLGHOSMNOH-UHFFFAOYSA-N

ID: 138660

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 138661

SMILES:
c1(C(=O)c2c(O)c(C3C(C(C)C)CCC(C)=C3)cc(O)c2)cc(Oc2cc(C)cc(O)c2)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.716

CB1 binding score: -10.927

InChIKey:
WGKUNCBOOHGELE-UHFFFAOYSA-N

ID: 138662

SMILES:
C(C=O)(C)=CCc1c(O)cc(CCCCCC)c(C(=O)O)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -14.313

InChIKey:
SBHBVPMWFFKCKZ-UHFFFAOYSA-N

ID: 138663

SMILES:
C1C(C)=CC(c2c(C)cccc2O)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.764

InChIKey:
VCTOYXGKNMVKJN-UHFFFAOYSA-N

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138643–138663 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