Browse

Molecule Identifiers
Molecular Properties

ID: 135808

SMILES:
c1(C)ccc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.878

InChIKey:
GUXGXKFPIHIMLU-UHFFFAOYSA-N

ID: 135809

SMILES:
C(c1cc(O)cc(C2C(C(C)C)CCC(C)=C2)c1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.513

CB1 binding score: -14.542

InChIKey:
NKGZRKSYUCRXIU-UHFFFAOYSA-N

ID: 135810

SMILES:
CCCCCc1cc(O)c(CC2C(C)(O)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.959

InChIKey:
XUUZOXAXJUHAEZ-UHFFFAOYSA-N

ID: 135811

SMILES:
c1c(O)c(C2C=C(C)CCC2C(C)=C)cc(C2=C(C(=O)C)CCC=C2C)c1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -15.239

InChIKey:
ALSMTARLZAZBPQ-UHFFFAOYSA-N

ID: 135812

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(O)C3(C(=O)O1)C(C=C(C)CC3)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.519

InChIKey:
KTSFXJLDKCGZOD-UHFFFAOYSA-N

ID: 135813

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135814

SMILES:
C(O)C=C(C)CC1c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.411

InChIKey:
FRJMSLOVVAXQFV-UHFFFAOYSA-N

ID: 135815

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135816

SMILES:
c1(O)cc(C)c2c(c1C)C1C(CC(=O)CC1(O)C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.142

InChIKey:
QJCBJKRKFWGEFL-UHFFFAOYSA-N

ID: 135817

SMILES:
Oc1c(C(=O)CC(C)C)cc2c(c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -12.899

InChIKey:
BELZWQSQODKFJF-UHFFFAOYSA-N

ID: 135818

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.457

InChIKey:
FJYYVTZFBGLHBX-UHFFFAOYSA-N

ID: 135819

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 135820

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 135821

SMILES:
C1C(C)=CC2C3(C(C)(C)Oc4cc(CCCCC)cc(O)c43)C=C(C(=O)OC)CC12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -12.017

InChIKey:
XOATYPQQOJXKIU-UHFFFAOYSA-N

ID: 135822

SMILES:
c1(OC)c(OC)c2c(cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.005

InChIKey:
HAWXUIDXSKOKOA-UHFFFAOYSA-N

ID: 135823

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.833

InChIKey:
MLIYFAFXRBFSIT-UHFFFAOYSA-N

ID: 135824

SMILES:
CC1(C)CC2Oc3cc(CCCCC)cc(O)c3C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.222

InChIKey:
GAJVYKYQOGBNEX-UHFFFAOYSA-N

ID: 135825

SMILES:
c1(C)cc2c(cc1)C(C)(C)Oc1c-2ccc(CC(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.411

CB1 binding score: -17.661

InChIKey:
XEYGQDMXUGSOCG-UHFFFAOYSA-N

ID: 135826

SMILES:
C1(C)(C)Oc2c(cc(O)cc2C)C2C=C(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.472

InChIKey:
MRMJKDJYMLWPGM-UHFFFAOYSA-N

ID: 135827

SMILES:
C1C(OC)OCC1=CC1c2c(O)cc(CCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.288

InChIKey:
GWHQPZPTYWIGJZ-UHFFFAOYSA-N

ID: 135828

SMILES:
C1(CO)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

◀6465646664676468646964706471▶
135808–135828 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