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Molecule Identifiers
Molecular Properties

ID: 137110

SMILES:
CC1(C)CCCC2=C1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.481

InChIKey:
WVPDBUWIURLEBC-UHFFFAOYSA-N

ID: 137111

SMILES:
C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.187

InChIKey:
QHPAAFINTQBRPR-UHFFFAOYSA-N

ID: 137112

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 137113

SMILES:
C(Cc1cc(O)c2c(c1)OC(CCC=C(CCC=C(C)C)C)(C)C=C2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.4

InChIKey:
ONZVFDYNXJRWDU-UHFFFAOYSA-N

ID: 137114

SMILES:
CC1(C)C2CCC(=C)CC2c2c(O)cc(CCCCCO)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.158

InChIKey:
GIXYHVRDFSRPMA-UHFFFAOYSA-N

ID: 137115

SMILES:
C=C(C)C1CCC(CO)=CC1c1cc(CCC(=O)OC)cc(CC=C(C)CCC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -16.336

InChIKey:
VDSRQDHMIQVBKF-UHFFFAOYSA-N

ID: 137116

SMILES:
OC(C)(C)C(O)COc1cc(CC2(C)Oc3c(C)cc(O)cc3C3C2CC(C)=CC3(C)C)cc(C=O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.654

CB1 binding score: -13.522

InChIKey:
QRYVSIYXHAWLFC-UHFFFAOYSA-N

ID: 137117

SMILES:
C(CCCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.055

InChIKey:
IQTNAUYOSKQLEC-UHFFFAOYSA-N

ID: 137118

SMILES:
Oc1cc(O)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 137119

SMILES:
CCCc1cc(O)c(C2C=C(C)CC(O)C2C(C)(O)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -15.215

InChIKey:
PCSQAAIKPFAUDX-UHFFFAOYSA-N

ID: 137120

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(COC(=O)C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 137121

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.912

InChIKey:
ZBRFWGXKUTWIBC-UHFFFAOYSA-N

ID: 137122

SMILES:
C1(C)=CCCC(C)C1(CC1c2c(O)cc(CCC)cc2OC1(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -11.912

InChIKey:
FBQVLFSOCAUGBC-UHFFFAOYSA-N

ID: 137123

SMILES:
CC1=CC(c2c(OC)cc(O)cc2CCCCC)C(C(C)=C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.282

InChIKey:
ZBNHPBQBKAYBHD-UHFFFAOYSA-N

ID: 137124

SMILES:
O1c2c(c(O)cc(CCC)c2)-c2c(ccc(C)c2)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.383

CB1 binding score: -21.105

InChIKey:
SVTKBAIRFMXQQF-UHFFFAOYSA-N

ID: 137125

SMILES:
C(c1cc(OC)c2c(c1)OC(C)(C)C1CCC(CO)=CC12)(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -16.536

InChIKey:
GSARZHJNSMMQML-UHFFFAOYSA-N

ID: 137126

SMILES:
C(C1(C)C2C(C)(Oc3c(cc(OC)cc3)C2)CCC1(O)C)CCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -12.838

InChIKey:
CNNBMKKBCSNLOZ-UHFFFAOYSA-N

ID: 137127

SMILES:
CC1(C)CCCC(C)=C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.194

InChIKey:
PWPAIRYTSFVVSF-UHFFFAOYSA-N

ID: 137128

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C(=O)O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.21

InChIKey:
PCZIIFNGCLBQBG-UHFFFAOYSA-N

ID: 137129

SMILES:
C(=CC(OC1C2(C)CC(O)C(C(C)C)=CC2C(C)=CC1)=O)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.634

CB1 binding score: -15.874

InChIKey:
TVRFUUDVPRCMMW-UHFFFAOYSA-N

ID: 137130

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.332

InChIKey:
XZWKSKOUODSSCT-UHFFFAOYSA-N

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137110–137130 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