Browse

Molecule Identifiers
Molecular Properties

ID: 126127

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)(O)C(=O)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.502

InChIKey:
GLSYAEMXTWVJQP-UHFFFAOYSA-N

ID: 126128

SMILES:
c1(C2C=C(C)CCC2C(C)=C)c(O)c(C(=O)CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.591

InChIKey:
RVKMCYXGYRELMP-UHFFFAOYSA-N

ID: 126129

SMILES:
CC(CC1(OC)CC(C)=CC(c2c(O)cc(CCCCC)cc2OC)C1C(C)=C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -13.083

InChIKey:
JAVWTOSMKDOKAR-UHFFFAOYSA-N

ID: 126130

SMILES:
C(CC=C(C)C)C(C1CCC(C)c2c(O)c(Oc3cc(CCCCC)cc(O)c3)=CC1O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -16.51

InChIKey:
JNJOZUQNMYPSOY-UHFFFAOYSA-N

ID: 126131

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(OC)c2C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.391

CB1 binding score: -16.502

InChIKey:
YIPOEFHPLKFIGQ-UHFFFAOYSA-N

ID: 126132

SMILES:
C1C(C(=C)C)C(c2c(O)c(O)cc(CCCCC)c2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.615

InChIKey:
KOUHQCUXYPXGPH-UHFFFAOYSA-N

ID: 126133

SMILES:
C(=CCC1C2C(=O)c3c(O)cc(CCCCC)cc3OC1(C)CC2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.395

InChIKey:
YMPFXNLBGPYPSM-UHFFFAOYSA-N

ID: 126134

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C=CC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.32

InChIKey:
WWYMYGIVLCKTBL-UHFFFAOYSA-N

ID: 126135

SMILES:
O(c1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 126136

SMILES:
c12c(O)cc(C)cc1OC1(C)CC(OC(=O)CC(C)C)C(C(O)(C)C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.536

InChIKey:
CPKAAGPGXGDDMP-UHFFFAOYSA-N

ID: 126137

SMILES:
C1(C)(C)Oc2cc(CCCCC)ccc2CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.619

InChIKey:
SHMQTPLCNHANSO-UHFFFAOYSA-N

ID: 126138

SMILES:
C(CC(=CCc1c(OC)cc(COC(CC(=O)O)=O)cc1O)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -13.592

InChIKey:
XGPFHANMNSMTTL-UHFFFAOYSA-N

ID: 126139

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C1C1(C)C(=O)CC3C(C)(CCC(C(C)(C)O)C3)C1C(=O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -13.773

InChIKey:
BIXYANMAKLATIL-UHFFFAOYSA-N

ID: 126140

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C1(C=O)C1(C)CC(=O)C2=C1C=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.402

CB1 binding score: -12.209

InChIKey:
MZDJOVBQHIHUBX-UHFFFAOYSA-N

ID: 126141

SMILES:
C1(C)(C)C2CC=C(CO)CC2c2c(O)cc3c(c2O1)OC1(C)C2(O)C(=CC12)C1C(Oc2ccc(cc2)C=Cc2cc(CC[N+](C)(C)O)cc(O)c21)C3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 734.91

CB1 binding score: -13.754

InChIKey:
SXQZRSLCARCIDK-UHFFFAOYSA-O

ID: 126142

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(=C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.424

InChIKey:
MJSRCZHZDURFKF-UHFFFAOYSA-N

ID: 126143

SMILES:
Oc1cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 126144

SMILES:
OC(Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C1CC(=C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -13.913

InChIKey:
BNXLGVWCRLKRCQ-UHFFFAOYSA-N

ID: 126145

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2(CO)C1C(C)(C)C(=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -14.242

InChIKey:
OFDJHPIESCPUDQ-UHFFFAOYSA-N

ID: 126146

SMILES:
C12CC(C(C)C)=C(O)C(=O)C1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.038

InChIKey:
WLFIPYBZFYWPMU-UHFFFAOYSA-N

ID: 126147

SMILES:
c1c2cc(OC)c(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.251

InChIKey:
JAKBXNDCWNYPME-UHFFFAOYSA-N

◀6004600560066007600860096010▶
126127–126147 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