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Molecule Identifiers
Molecular Properties

ID: 111196

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.286

InChIKey:
HWSPYCXSGFAYQP-UHFFFAOYSA-N

ID: 111197

SMILES:
C(CCC)c1cc(O)c2c(c1)OC1(C)OCC(C)C1C2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.453

InChIKey:
BHRPQQKCDLECGM-UHFFFAOYSA-N

ID: 111198

SMILES:
CC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)C(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.855

InChIKey:
KBTNQOVTNZTJGJ-UHFFFAOYSA-N

ID: 111199

SMILES:
C1(C)=CC2OC23C(C)(Oc2cc(CCCCC)cc(O)c2C32CC(C(=C)C)CCC2C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.663

CB1 binding score: -15.047

InChIKey:
BFFPYMPAPKWTCN-UHFFFAOYSA-N

ID: 111200

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.485

InChIKey:
UOLFVTXVWQDBHF-UHFFFAOYSA-N

ID: 111201

SMILES:
C(Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2)(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -18.166

InChIKey:
WPRGTCVOBXQUHO-UHFFFAOYSA-N

ID: 111202

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 111203

SMILES:
C1(O)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC=C(C)C2CC=C(C)COC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -14.867

InChIKey:
GLTNIXQDQIUKFJ-UHFFFAOYSA-N

ID: 111204

SMILES:
C(c1c(O)c2c(cc1C)OC(C)(C)C1CCC(C(OC)=O)CC21)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.367

InChIKey:
APTWYCHINUIGOM-UHFFFAOYSA-N

ID: 111205

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 111206

SMILES:
C(C)(C)=CCCC1(C)CCC(C)C(=O)C1c1c(O)c(OC)c(C(C)(C)CC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -12.134

InChIKey:
HWHWDJPYTOEXBZ-UHFFFAOYSA-N

ID: 111207

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 111208

SMILES:
C1(C=C(C)C)CC(C)(O)C=Cc2cc(CCCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.84

InChIKey:
AMSSHCQOKOIOMC-UHFFFAOYSA-N

ID: 111209

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(O)(C)C)c(C)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -18.706

InChIKey:
PATBMXILLYLHTK-UHFFFAOYSA-N

ID: 111210

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 111211

SMILES:
C1=C(O)C(=O)C2=C1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.306

CB1 binding score: -14.725

InChIKey:
JJAKOYHFWQAHTA-UHFFFAOYSA-N

ID: 111212

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 111213

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 111214

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 111215

SMILES:
Cc1c2c(cc(C)c1CC)C(C)(C)Oc1c2cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -14.317

InChIKey:
VAWUTPHGWOBTNW-UHFFFAOYSA-N

ID: 111216

SMILES:
c1(C)cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.342

InChIKey:
PYHMVTAXZLXDSA-UHFFFAOYSA-N

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111196–111216 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