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Molecule Identifiers
Molecular Properties

ID: 129466

SMILES:
CC1(Cl)C23Cc4c(O)cc(C)cc4OC(C)(C)C2CC3O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.805

CB1 binding score: -14.99

InChIKey:
JHVXXAYJHKTFCB-UHFFFAOYSA-N

ID: 129467

SMILES:
C(Cc1c(O)c(C(=O)O)c(CCC)cc1O)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 129468

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)ccc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 129469

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 129470

SMILES:
OC1C(C)=CCC2C(C)(C)Oc3cc(CCC(OC)=O)c(C)cc3C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.455

InChIKey:
VVRPPLMWUOBCPE-UHFFFAOYSA-N

ID: 129471

SMILES:
c12c(c(O)cc(CO)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.023

InChIKey:
QIUUOTOYUFAURB-UHFFFAOYSA-N

ID: 129472

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 129473

SMILES:
C1(CO)(C)CC2C3(C)CC2c2c(cc(CCCCC)cc2O)OC1(C)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.877

InChIKey:
NLFUWAPPGPMMMH-UHFFFAOYSA-N

ID: 129474

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 129475

SMILES:
O(c1c(O)cc(C)c(C2C=C(C)CCC2C(C)=C)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.655

InChIKey:
CAQGZYWAEUMUST-UHFFFAOYSA-N

ID: 129476

SMILES:
Oc1cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.879

InChIKey:
QUTSEXVWDYCFLT-UHFFFAOYSA-N

ID: 129477

SMILES:
O1c2c(c(O)c(C(=O)O)c(CCCCC)c2)C(CCCCC)C1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.726

InChIKey:
PGIJHIIDPFBZEA-UHFFFAOYSA-N

ID: 129478

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 129479

SMILES:
C=C1CCCC(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.668

InChIKey:
WOUGPJUIDKWRFD-UHFFFAOYSA-N

ID: 129480

SMILES:
c12cc(CCCCC)ccc1C1C(C)(CCC=C(C)C)C(=O)OC1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -12.023

InChIKey:
LTUHDLOIBNBPQH-UHFFFAOYSA-N

ID: 129481

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(OC)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.645

InChIKey:
KRGSSRNSHFEDKY-UHFFFAOYSA-N

ID: 129482

SMILES:
c1(CC(O)=O)c(O)c(CC=C(CCC=C(C)C)C)c2c(c1)OC(C)(C)C1C2C(=O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.564

CB1 binding score: -15.878

InChIKey:
UEKABAGJLDHDRA-UHFFFAOYSA-N

ID: 129483

SMILES:
C(CCc1cc(Br)c(C2C=C(C)CCC2C(C)C)c(CCCCC)c1)(C=C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 445.485

CB1 binding score: -12.258

InChIKey:
HTRHDYXMBCKGCC-UHFFFAOYSA-N

ID: 129484

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.874

InChIKey:
YXRFOCIOHQWSJX-UHFFFAOYSA-N

ID: 129485

SMILES:
C1(c2c(O)c(O)cc(CCCCC)c2)C(C(=C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

ID: 129486

SMILES:
Oc1c(Cc2c(O)cc(C)cc2O)cc(O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.483

CB1 binding score: -13.263

InChIKey:
HGVYZKDCCUPRNI-UHFFFAOYSA-N

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129466–129486 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