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Molecule Identifiers
Molecular Properties

ID: 64282

SMILES:
c12c(cc(CCC)cc1O)OC(C)(C)C1CCC(C)C(O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.135

InChIKey:
ANOGZAGMSHVDCE-UHFFFAOYSA-N

ID: 64283

SMILES:
Oc1cc(CCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 64284

SMILES:
C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -19.108

InChIKey:
KCGRQTUOQYSEJY-UHFFFAOYSA-N

ID: 64285

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCC)c2)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.388

InChIKey:
ZZCNOLDEGSEPMO-UHFFFAOYSA-N

ID: 64286

SMILES:
Oc1c(CC(C=C)(C)O)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids;Aromatic polyketides

Class: Cannabinoids;Catechols with side chains

MW: 264.365

CB1 binding score: -15.607

InChIKey:
CZQYVJFYAAWYGQ-UHFFFAOYSA-N

ID: 64287

SMILES:
c1cc(OCCCCCC)c2c(c1C(OC)=O)OC(C)(C)C1=CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.759

InChIKey:
VFDHQCQBXJYACV-UHFFFAOYSA-N

ID: 64288

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)c1ccc(C)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 64289

SMILES:
c1(CCCCC)c2c(cc(O)c1C(OC)=O)OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -14.672

InChIKey:
LIVHNDBDHOLARG-UHFFFAOYSA-N

ID: 64290

SMILES:
C1=CC(C=O)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC=CCC)c3)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -16.519

InChIKey:
VIFVSAWIPVDSKV-UHFFFAOYSA-N

ID: 64291

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)CCC=C(C)C)(O2)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.224

InChIKey:
UYJFRNCZHFGILN-UHFFFAOYSA-N

ID: 64292

SMILES:
C1CC(C)C2(O)COc3c(c(O)cc(CCCCC)c3)C2C1=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.759

InChIKey:
IXCRHWMFOKNOEY-UHFFFAOYSA-N

ID: 64293

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

ID: 64294

SMILES:
C(CC)CCc1c(O)c(C=O)c2c(c1O)C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.935

InChIKey:
ZNEZDQJVLDZISB-UHFFFAOYSA-N

ID: 64295

SMILES:
OCC(COc1c2c(ccc1)OC(C)(C)C1CCC(C)C21)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -15.205

InChIKey:
WVZFCALCWPKTSA-UHFFFAOYSA-N

ID: 64296

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 64297

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 64298

SMILES:
C1C(c2c(O)cc(CCCCC)cc2)CC(CCC=C(C)C)=CCC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.59

InChIKey:
NZEPWPLJAWHDPI-UHFFFAOYSA-N

ID: 64299

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC2=C(CCC3C(C)(C)CCCC23C)CO1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.706

CB1 binding score: -17.072

InChIKey:
WZSJGKSSFPVOMD-UHFFFAOYSA-N

ID: 64300

SMILES:
C1C2C(O)(C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.672

InChIKey:
UZSHJGGYFAPBRI-UHFFFAOYSA-N

ID: 64301

SMILES:
C1=C(C)C2C(C(C)(C)Oc3c2ccc(CCCCC)c3)CC=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.562

CB1 binding score: -15.222

InChIKey:
HFJKXTARQGYKOS-UHFFFAOYSA-N

ID: 64302

SMILES:
C1(C)(C)Oc2c(c(O)c(CCCCC)c(C=O)c2O)C2C3C(C)(C(O)CC12)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -15.526

InChIKey:
KYUZXGHIIUUROS-UHFFFAOYSA-N

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64282–64302 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