Browse

Molecule Identifiers
Molecular Properties

ID: 115795

SMILES:
C1C(=C(CCC=C(C)C)C)C(=O)C=C(C)C1Cc1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -15.706

InChIKey:
OCKPVQXAMHHVDN-UHFFFAOYSA-N

ID: 115796

SMILES:
C(C=C(C)C)CC(=CCCC1(C)C(OC(C)=O)c2c(cc(CCCCC)cc2O)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -14.029

InChIKey:
TWWDSQWFVSDGRH-UHFFFAOYSA-N

ID: 115797

SMILES:
Oc1cc(CCCCC)cc2c1C1OC(=O)C3(C1)CC(C=C(C)C)OC32CC(OC)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.525

CB1 binding score: -15.637

InChIKey:
BSZOOUYMNSNROZ-UHFFFAOYSA-N

ID: 115798

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 115799

SMILES:
c1c(CCCCC)cc2c(c1O)C1CC(C1(C)C)CCC2=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.181

InChIKey:
ITYWNPPINIOKDY-UHFFFAOYSA-N

ID: 115800

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 115801

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -16.098

InChIKey:
ZACIDDMFTWKCAH-UHFFFAOYSA-N

ID: 115802

SMILES:
C(CCC)Cc1cc(O)c2c(c1O)-c1cc(C(=O)OC)c(o1)CC1C(CC=C(C)C)(CC(c3ccccc3)O1)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 546.66

CB1 binding score: -14.614

InChIKey:
LZRUQRYEQLOPCX-UHFFFAOYSA-N

ID: 115803

SMILES:
C1(c2ccc(O)cc2)Oc2c(c(O)cc(CCCCC)c2)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -15.132

InChIKey:
HRCFNCSLJLWXTO-UHFFFAOYSA-N

ID: 115804

SMILES:
c1(O)cc(CCC)cc2c1C1C(C(C)(C)O2)C=CC(C)(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.379

InChIKey:
CVDJYCLMBQHDGO-UHFFFAOYSA-N

ID: 115805

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1OC21)CCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.432

InChIKey:
GCVOKNAMHYKTHP-UHFFFAOYSA-N

ID: 115806

SMILES:
C(C1CCC(O)C1(C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -15.326

InChIKey:
RADIETNTFZLXCV-UHFFFAOYSA-N

ID: 115807

SMILES:
c1(OC(=O)c2ccc(OCCC)cc2)cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.657

CB1 binding score: -15.092

InChIKey:
FMUKBPVQCBLSQC-UHFFFAOYSA-N

ID: 115808

SMILES:
Oc1c(C(OC)=O)c(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -18.882

InChIKey:
PZGQMCZVNQZFFP-UHFFFAOYSA-N

ID: 115809

SMILES:
c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c(C(C)CC)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.202

InChIKey:
HWGUCPLFWGDVCM-UHFFFAOYSA-N

ID: 115810

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.967

InChIKey:
HHJMIVMTYBJCTA-UHFFFAOYSA-N

ID: 115811

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 115812

SMILES:
C(c1c2c(ccc1)C(C)(C)Oc1c-2c(O)cc(C)c1)OCC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 406.566

CB1 binding score: -14.627

InChIKey:
AMTKBVAGWJMYPD-UHFFFAOYSA-N

ID: 115813

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -14.427

InChIKey:
NXSWOCXEIXLJOD-UHFFFAOYSA-N

ID: 115814

SMILES:
C12C(C(C)(C)Oc3ccc(CCCCC)cc13)CCC(C)=C1C(=O)C=C(COC(C(C(C)O)=C)=O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.656

CB1 binding score: -12.455

InChIKey:
LFMNNMIDOVBAAT-UHFFFAOYSA-N

ID: 115815

SMILES:
C12CC3C(OC(=O)C3=C)CC(C)(Oc3cc(CCCCC)cc(O)c31)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -17.19

InChIKey:
GPSLDTDQYJEVOS-UHFFFAOYSA-N

◀5512551355145515551655175518▶
115795–115815 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