Browse

Molecule Identifiers
Molecular Properties

ID: 132469

SMILES:
C12(C)CCC(C)=CC1c1c(cc(C)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -19.722

InChIKey:
JTHBMMWBTWDAFK-UHFFFAOYSA-N

ID: 132470

SMILES:
C(c1c(O)c2c3c(c1O)OC(C)(C)C1C3C(CC(C)C1)OC2=O)CCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -15.926

InChIKey:
PZRRKBIRKMDSHS-UHFFFAOYSA-N

ID: 132471

SMILES:
C(=C(C)C)CCC1=CC(CC(C)=CCc2cc(O)cc(C)c2O)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -16.054

InChIKey:
GHJVLAGQTNKHFX-UHFFFAOYSA-N

ID: 132472

SMILES:
C(c1c(O)cc(O)c(CC=C(C)CCC=C(C)C)c1O)CCCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -16.728

InChIKey:
MSHHUQSPASCPGP-UHFFFAOYSA-N

ID: 132473

SMILES:
C12COC3(C)C(O)CC1C(C)(C)Oc1cc(CCCCC)cc(c12)OC3(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -17.307

InChIKey:
ACYIEIHKODTFKY-UHFFFAOYSA-N

ID: 132474

SMILES:
C(CC(C)=CCCC(C)=Cc1cc(O)cc(CO)c1Cc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(=O)n(C)c1)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 573.818

CB1 binding score: -15.799

InChIKey:
LKSKNAZRWMYCFE-UHFFFAOYSA-N

ID: 132475

SMILES:
CC1(C)C2C(C=C(CS)C2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.509

CB1 binding score: -15.862

InChIKey:
XIOBEHNZLVPBLI-UHFFFAOYSA-N

ID: 132476

SMILES:
CC1=CCC2C(C)(C)Oc3c(c(O)cc(CCC(O)C(C)(OC4C(O)C(O)C(O)C(CO)O4)C)c3C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.662

CB1 binding score: -15.053

InChIKey:
ZAXJVDYSGZYKTA-UHFFFAOYSA-N

ID: 132477

SMILES:
CC1(C)OC2(C)Oc3cc(C)cc(O)c3C2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.306

CB1 binding score: -16.256

InChIKey:
ZDTNDAKSBXUVTO-UHFFFAOYSA-N

ID: 132478

SMILES:
C1(CCC=C(C)C)(C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 132479

SMILES:
C1=C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C(O)C(OC2OC(CO)C(O)C(O)C2O)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.592

CB1 binding score: -15.35

InChIKey:
RDSQZTXARHOPFA-UHFFFAOYSA-N

ID: 132480

SMILES:
OC1(C(C)(O)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.518

InChIKey:
JDKSPVFEJRHDJP-UHFFFAOYSA-N

ID: 132481

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.162

InChIKey:
PSJHECMYRKFEQA-UHFFFAOYSA-N

ID: 132482

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -18.883

InChIKey:
KKBNGEMFBFEYQN-UHFFFAOYSA-N

ID: 132483

SMILES:
C1(C(COC(CC(C)C)=O)C)(O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -14.69

InChIKey:
OZCMKDSDJJQKOM-UHFFFAOYSA-N

ID: 132484

SMILES:
CC(=CCCC(=CC(CC(C)=O)c1c(O)cc(CCc2cc(OC)c(OC)c(O)c2)cc1OC(C)(C)C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 538.725

CB1 binding score: -14.355

InChIKey:
YZJIJUYFBFYFMG-UHFFFAOYSA-N

ID: 132485

SMILES:
C(CCCC)c1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 132486

SMILES:
C1(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2OC2(C)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -18.436

InChIKey:
KJISGSULZRZCKI-UHFFFAOYSA-N

ID: 132487

SMILES:
C(c1cc(O)c(CC=C(C)C)c(O)c1)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 132488

SMILES:
C1CC(C(C)(O)C)OC2C1(C)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.156

InChIKey:
CILYSJFNRQQBSP-UHFFFAOYSA-N

ID: 132489

SMILES:
OC(=O)C1(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.256

InChIKey:
BSTSDOUWRKYSFT-UHFFFAOYSA-N

◀6306630763086309631063116312▶
132469–132489 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