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Molecule Identifiers
Molecular Properties

ID: 101851

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.43

InChIKey:
HVSXTAISCWYJLL-UHFFFAOYSA-N

ID: 101852

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.227

InChIKey:
WLTPEYREZZBZLB-UHFFFAOYSA-N

ID: 101853

SMILES:
C(=C(C)C)CCc1cc(O)c(CC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -18.498

InChIKey:
SSYFVGGKLHQDPS-UHFFFAOYSA-N

ID: 101854

SMILES:
Oc1cc2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.963

InChIKey:
OPFLKBXXMPDXAH-UHFFFAOYSA-N

ID: 101855

SMILES:
CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 101856

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 101857

SMILES:
c1(-c2cc(CC=C)ccc2O)c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.631

CB1 binding score: -12.299

InChIKey:
MPYUSMJXQMERFQ-UHFFFAOYSA-N

ID: 101858

SMILES:
C1(C)(C(O)CCC(C)=CCc2c(OC(=O)C)cc(CCCCC)cc2OC)CCCC(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.682

CB1 binding score: -13.444

InChIKey:
OCIFSLFOXSQSAD-UHFFFAOYSA-N

ID: 101859

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C(OC(=O)C)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.437

InChIKey:
OAGIBPQMPWSYEU-UHFFFAOYSA-N

ID: 101860

SMILES:
C1(=O)C(=C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.165

InChIKey:
DXRLUMOANWAHBS-UHFFFAOYSA-N

ID: 101861

SMILES:
CC(=O)OC1(C)CCC2C(c3c(cc(CCCCCC)cc3OC)O2)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.309

InChIKey:
JDEWSINSIZFBCJ-UHFFFAOYSA-N

ID: 101862

SMILES:
c1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 101863

SMILES:
c12c(CCCCC)ccc(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.367

InChIKey:
ARCCJNTVTZPGNU-UHFFFAOYSA-N

ID: 101864

SMILES:
CC(C1CCC2(C)C(O)CCC(O)(C)C2C1c1c(O)cc(CCCCC)cc1O)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.617

CB1 binding score: -13.952

InChIKey:
ABYUSCLHZGJXDT-UHFFFAOYSA-N

ID: 101865

SMILES:
CC1(O)CCC(C(C)C)C2c3c(O)cc(CCCCC)cc3OC(C)(CCC=C(C)C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.738

CB1 binding score: -13.997

InChIKey:
ZIEQBIYDZDVXDB-UHFFFAOYSA-N

ID: 101866

SMILES:
C12=C(CCC(C)(O)C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.269

InChIKey:
SEZYEGYUECNXNK-UHFFFAOYSA-N

ID: 101867

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 101868

SMILES:
c1c(C)cc(O)c2c1OC(CC(=O)CC(C)C)(C)C1C2C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.438

InChIKey:
HROWOGWFEZTGPV-UHFFFAOYSA-N

ID: 101869

SMILES:
C(c1c(O)c2c(cc1C)OC(C)(C)c1c-2cc(C)cc1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -15.116

InChIKey:
QWBZHLGDZHHEHL-UHFFFAOYSA-N

ID: 101870

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)OC)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.485

InChIKey:
DSQIFSTZOWZVKR-UHFFFAOYSA-N

ID: 101871

SMILES:
C1=C(C)CCC(c2c(O)cc(CCCCC)cc2OC)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.56

InChIKey:
BWOFIUZSSXXXTP-UHFFFAOYSA-N

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101851–101871 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