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Molecule Identifiers
Molecular Properties

ID: 124867

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 124868

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.775

InChIKey:
BPLYFGRGSWNQPD-UHFFFAOYSA-N

ID: 124869

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2OC)C=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.417

InChIKey:
WKNDXJXENAPUOX-UHFFFAOYSA-N

ID: 124870

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -17.142

InChIKey:
XYEMTFDZOUNUJB-UHFFFAOYSA-N

ID: 124871

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124872

SMILES:
C1C2=C(C)C(C=C)(O)C(C)(CC2(O)c2c(O)cc(CCCCC)cc2O)CC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -16.078

InChIKey:
YQKBHBUEEVHNMO-UHFFFAOYSA-N

ID: 124873

SMILES:
Cc1cc(O)c2c(c1)OC1(C)CCC(C(C)=C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.387

InChIKey:
VVRJCBBASZRUGL-UHFFFAOYSA-N

ID: 124874

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 124875

SMILES:
C12C(CC(C)=CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.485

InChIKey:
UOLFVTXVWQDBHF-UHFFFAOYSA-N

ID: 124876

SMILES:
c1(O)cc(CCC)cc2c1C1CC(C)CCC1C(C)=CC2C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.535

CB1 binding score: -15.517

InChIKey:
XVHRKEHYNJNTBC-UHFFFAOYSA-N

ID: 124877

SMILES:
C12CC(C(O)C)=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -12.998

InChIKey:
XXKKAAOLJUNPPT-UHFFFAOYSA-N

ID: 124878

SMILES:
C1C(C(C)(C)O)OC(c2c(O)cc(CCC)cc2O)CC1(C)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.417

CB1 binding score: -15.689

InChIKey:
PEWZCXLUNFJPNS-UHFFFAOYSA-N

ID: 124879

SMILES:
CC(CCC=C(C)C)(O)CCc1cc(O)c(C)c(OC)c1CC1N(C)CCCC1=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 415.618

CB1 binding score: -15.929

InChIKey:
QAEKMVPEAWXEME-UHFFFAOYSA-N

ID: 124880

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.655

InChIKey:
SWPWKDROQYANMO-UHFFFAOYSA-N

ID: 124881

SMILES:
C1(OC(C)=O)CC2C(C)(C)Oc3cc(C)cc(O)c3C2C2OC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -14.61

InChIKey:
GUHYJZAVTQWTGT-UHFFFAOYSA-N

ID: 124882

SMILES:
Clc1cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.915

CB1 binding score: -14.605

InChIKey:
DLVWYHLYGGGZTO-UHFFFAOYSA-N

ID: 124883

SMILES:
c1(CC(OC)=O)c(CCCCC)cc2c(c1O)C1CC(C)(C)CCCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.438

InChIKey:
VJENIDITRODMIR-UHFFFAOYSA-N

ID: 124884

SMILES:
CC(=CCc1c(O)cc(CCCCC)c(C(=O)OC)c1O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -17.629

InChIKey:
XEUWUHXAAAQAQY-UHFFFAOYSA-N

ID: 124885

SMILES:
C1(C)CC(c2c(O)cc(C)cc2O)C(C(C)C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.017

InChIKey:
WOOJKIJJIZUQHK-UHFFFAOYSA-N

ID: 124886

SMILES:
c1(OC(C)=O)c(C(OC(C)=C)CC)c2c(c(OC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.312

InChIKey:
XPWLUXNVDKYKQH-UHFFFAOYSA-N

ID: 124887

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

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124867–124887 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