Browse

Molecule Identifiers
Molecular Properties

ID: 66550

SMILES:
C(CC(C)=CCCC1(C)CCc2cc3c(c(O)c2C1)C=CC(CCC=C(C)C)(C)O3)Cc1cc(OC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 544.776

CB1 binding score: -15.835

InChIKey:
OWCJETMOGQRLPS-UHFFFAOYSA-N

ID: 66551

SMILES:
C(CCCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -18.766

InChIKey:
OKXUDFJPZMVBEH-UHFFFAOYSA-N

ID: 66552

SMILES:
C(C)C(C=C)=C(C(C)C(OC)c1cc2c(c(OC)c1)C1C=C(CCC=C(C)C)C(=O)OC1C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -14.247

InChIKey:
DKSGQDSRNNRBOV-UHFFFAOYSA-N

ID: 66553

SMILES:
C1C2(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.233

InChIKey:
OEIOWGJBTKZTRZ-UHFFFAOYSA-N

ID: 66554

SMILES:
C1C2c3c(cc(CCCCC)cc3OC)OC(CO)(C)C2CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.89

InChIKey:
QNHUXEFJTLPHMY-UHFFFAOYSA-N

ID: 66555

SMILES:
c1(O)cc(CCC)cc2c1C1CC(CCC=C(C)C)=CCC1C(O)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.093

InChIKey:
UFNQPWZIMUYLFB-UHFFFAOYSA-N

ID: 66556

SMILES:
c1(CC=C(C)CC(=O)C=C(C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 330.468

CB1 binding score: -17.947

InChIKey:
ZXDVFJZNEMZQLZ-UHFFFAOYSA-N

ID: 66557

SMILES:
c1cc(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 66558

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.564

InChIKey:
GTNVZIIHFZTOCF-UHFFFAOYSA-N

ID: 66559

SMILES:
C(CC)Cc1ccc(O)c2c1OC(C)(C)C1CC=C(CO)C(O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -13.193

InChIKey:
JVSWRNTXKRQWDG-UHFFFAOYSA-N

ID: 66560

SMILES:
Oc1c(CC2(C)C(C)CCC3C(C)=C(C=O)CCC23)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.591

InChIKey:
HKEJKBGOFZTHCF-UHFFFAOYSA-N

ID: 66561

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)C)(O)CC2C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.65

InChIKey:
BBUFOYQJCYZRGL-UHFFFAOYSA-N

ID: 66562

SMILES:
c1c(C(=O)O)c(CCCC=C)cc2c1C1C(C(C)(C)O2)CCC(C(=O)OC)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -15.677

InChIKey:
OIXZWJVWXKSLGI-UHFFFAOYSA-N

ID: 66563

SMILES:
C12C(C)(C)CCCC1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.588

InChIKey:
ZHQYKTMGTDKCPG-UHFFFAOYSA-N

ID: 66564

SMILES:
CC1(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: 66565

SMILES:
c1(C)c(O)c(C(C=CCCCCCCC)O)cc(O)c1C1CC(C)=CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.315

InChIKey:
KZQUXCSRFWKXFX-UHFFFAOYSA-N

ID: 66566

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C1C(C(C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.707

CB1 binding score: -14.096

InChIKey:
GRXBWFTZZQNIII-UHFFFAOYSA-N

ID: 66567

SMILES:
C1Oc2c(c(OC)cc(CCCCC)c2)C1C(C)CC(=O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.317

InChIKey:
YIHTXOQFUZZDLZ-UHFFFAOYSA-N

ID: 66568

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -20.955

InChIKey:
MIUAQOJJVGZEBF-UHFFFAOYSA-N

ID: 66569

SMILES:
CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 66570

SMILES:
c1(O)cc(CCCCCCCC)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -16.264

InChIKey:
MJOKGZSLSNZAJG-UHFFFAOYSA-N

3167316831693170317131723173
66550–66570 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