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Molecule Identifiers
Molecular Properties

ID: 140743

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 140744

SMILES:
C1C(C)=CC(c2c(O)cc(CC=C(C)C)cc2CC=C(CCC=C(C)C)C)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.665

CB1 binding score: -14.239

InChIKey:
KRUTTWWQTGXHAT-UHFFFAOYSA-N

ID: 140745

SMILES:
c1c(O)c(C2C=C(C)CCC2C(CO)=C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.298

InChIKey:
ALWCZTNAQUVJTB-UHFFFAOYSA-N

ID: 140746

SMILES:
CC(CCCC(CCC)C)=CCc1c(O)c(C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -15.589

InChIKey:
UFLCXJKRXTUAJZ-UHFFFAOYSA-N

ID: 140747

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(C(OC)=O)=C1CCC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -17.334

InChIKey:
KYPAQYGVBNWGOL-UHFFFAOYSA-N

ID: 140748

SMILES:
O=C(c1ccccc1Oc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.495

CB1 binding score: -15.394

InChIKey:
LDLTVFWDWQBXNS-UHFFFAOYSA-N

ID: 140749

SMILES:
c1(CCCCC)cc2c(cc1)C1C(C(C)(C)O2)CCC(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.214

InChIKey:
GMOATYNAGDCFTA-UHFFFAOYSA-N

ID: 140750

SMILES:
C12C3OCC1(C)Oc1cc(CCCCC)cc(O)c1C2C(=O)CC3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.313

InChIKey:
GQDCUNOSOHAXAZ-UHFFFAOYSA-N

ID: 140751

SMILES:
C1(C(C)C)CC=C(C)CC1c1c(O)cc(CC=C(C)C)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.806

InChIKey:
LGNPWXOCLWKGQM-UHFFFAOYSA-N

ID: 140752

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 140753

SMILES:
C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 140754

SMILES:
C(CC=C(C)C)C(C)=CCc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 140755

SMILES:
CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140756

SMILES:
Oc1c(C2C=C(CCC=C(C)C)C3(C)CCCC32C)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -17.395

InChIKey:
HUZKOFLEIFTZKC-UHFFFAOYSA-N

ID: 140757

SMILES:
C12(O)C(=CC(O)C1(O)C)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -13.423

InChIKey:
XAFXSHNLCOBYST-UHFFFAOYSA-N

ID: 140758

SMILES:
C1(O)CCC2=C(C)C3C(C(=C)C)CCC(C)C12Oc1cc(C)c(O)c(OC)c13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.904

InChIKey:
VONZWWAUFVGLEC-UHFFFAOYSA-N

ID: 140759

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C(O)=O)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 140760

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1(O)C(O)OC(=O)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.438

CB1 binding score: -11.947

InChIKey:
LJZOASBHQBGXCK-UHFFFAOYSA-N

ID: 140761

SMILES:
c1(Cl)c2c(c(OC)c(OC)c1)C1C(=O)OC(C)(C)C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.75

CB1 binding score: -16.008

InChIKey:
LUZMBNGMEZRJNS-UHFFFAOYSA-N

ID: 140762

SMILES:
CC(C)C1C(c2cc(CCCCC)cc(O)c2)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -19.011

InChIKey:
NDCDNQRGLLKDBM-UHFFFAOYSA-N

ID: 140763

SMILES:
c12c(c(OC)c(OC)c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.393

InChIKey:
MFSNUNSWCXUQGE-UHFFFAOYSA-N

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140743–140763 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