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Molecule Identifiers
Molecular Properties

ID: 118609

SMILES:
c1c(C)c(O)cc2c1OC(C)(C)C1CCC(C)=C(O)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.666

InChIKey:
AZSQFGMDXVXYMB-UHFFFAOYSA-N

ID: 118610

SMILES:
OC1CC(C)(C)Oc2c(OC)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -14.882

InChIKey:
QVAYTTVOIZUMTA-UHFFFAOYSA-N

ID: 118611

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118612

SMILES:
C1CC(C)(CCC(C(C)(C)O)Br)Oc2c(c(O)cc(C)c2)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 385.342

CB1 binding score: -15.855

InChIKey:
HTIWUVSMQWSIPU-UHFFFAOYSA-N

ID: 118613

SMILES:
C(CC(O)(C)C)CC1(C)Oc2c(c(OO)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.553

InChIKey:
GTGYNPVDHFKGJO-UHFFFAOYSA-N

ID: 118614

SMILES:
Oc1cc(CCCCC)cc2c1C1C=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: 118615

SMILES:
c12c(O)cc(CCCCC)cc1OC1(C)CCCC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 118616

SMILES:
c1(C)c(C2C(C(C)C)CCC(C)=C2)c(O)c(CC=C(C)CCC=C(C)C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -12.035

InChIKey:
NBYZVYHXPWSTAU-UHFFFAOYSA-N

ID: 118617

SMILES:
O1c2c(cc(C(COC(=O)c3ccccc3)(CCCC(C)C)C)cc2)C(C=C)(C)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -12.729

InChIKey:
FZWQRNKWYJFYQL-UHFFFAOYSA-N

ID: 118618

SMILES:
C(CCCC)c1cc(O)c2c(c1)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: 118619

SMILES:
C1C2C(=O)C(COC)CCC2C(C)(C)Oc2c1ccc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.811

InChIKey:
DDVHSGNYWGXSTL-UHFFFAOYSA-N

ID: 118620

SMILES:
c12cc(CCCCC)cc(O)c1C1CC(C)=CCC1=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -16.879

InChIKey:
GDEJBBLREWTZHP-UHFFFAOYSA-N

ID: 118621

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: 118622

SMILES:
CC1(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 220.312

CB1 binding score: -17.272

InChIKey:
BUZRGRBWWXVNTD-UHFFFAOYSA-N

ID: 118623

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 118624

SMILES:
C(CC(C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2OC)CC1=O)OC(=O)C)C(CCC(O)=O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.659

CB1 binding score: -15.983

InChIKey:
GGULYCWGIRWIRU-UHFFFAOYSA-N

ID: 118625

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.097

InChIKey:
DOHVDEFPMXEKCG-UHFFFAOYSA-N

ID: 118626

SMILES:
COc1c(C)cc2c(c1)C1C(C(C)(C)O2)C(O)CC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -14.171

InChIKey:
XTRFRYMAEIKXDV-UHFFFAOYSA-N

ID: 118627

SMILES:
C(=C(CCC=C(C)C)C)COC(c1c(O)cc(CCC)cc1O)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.362

InChIKey:
JLIFEICFUAABEM-UHFFFAOYSA-N

ID: 118628

SMILES:
C(C)(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 118629

SMILES:
C1(CC(=O)C)CC(C)C2CC(c3c(O)cc(CCC)cc3O2)C(=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.635

InChIKey:
QOZDBHGPKANRNT-UHFFFAOYSA-N

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118609–118629 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