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Molecule Identifiers
Molecular Properties

ID: 129361

SMILES:
C(OCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.943

InChIKey:
MVSNNJMKPQTXRA-UHFFFAOYSA-N

ID: 129362

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)=CC21)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.572

InChIKey:
LAZRGYORSNYINY-UHFFFAOYSA-N

ID: 129363

SMILES:
C(O)C1(C)CC2C(C1)c1c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -16.254

InChIKey:
TUSSUIBJDJZFBJ-UHFFFAOYSA-N

ID: 129364

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 129365

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 129366

SMILES:
C1C(C)=CC2(c3c(O)cc(CCC)cc3OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.931

InChIKey:
GEOKQTUWKNQKDA-UHFFFAOYSA-N

ID: 129367

SMILES:
C1(C)=CC2c3c(O)cc(CCC)cc3OC2(C)CCC2C(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -13.521

InChIKey:
LJXHFBZDAKHMKD-UHFFFAOYSA-N

ID: 129368

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(COC(=O)C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -19.773

InChIKey:
ILHSUWMZKIAMCQ-UHFFFAOYSA-N

ID: 129369

SMILES:
C1(C)=CC(c2cc(CCCCC)cc(O)c2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

ID: 129370

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 129371

SMILES:
C1CC2(C)C(=C(CO)C1)Cc1c(O)cc(CCCCC)c(C)c1OC21OCC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -12.698

InChIKey:
UNWGLUOCALYOKZ-UHFFFAOYSA-N

ID: 129372

SMILES:
C1C(C)=CC(c2c(OC)cc(OC)cc2OC(CCCCCCCCCCCCCCC)=O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 526.802

CB1 binding score: -12.167

InChIKey:
MSDTYHSJKDCDTD-UHFFFAOYSA-N

ID: 129373

SMILES:
C1(C)=CCCC(C)C=CC23c4c(O)cc(CCCCC)cc4OC(C)(C)C2CC13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -16.064

InChIKey:
TXLOULDRDGUWEQ-UHFFFAOYSA-N

ID: 129374

SMILES:
Cc1cc(O)cc(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.706

InChIKey:
FBXSVXARSUKKDJ-UHFFFAOYSA-N

ID: 129375

SMILES:
C1(C)=CCC2C(C1)c1c(cc(CCCCC)cc1OC(C)=O)OC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -16.967

InChIKey:
VJMABKLTTCKDPS-UHFFFAOYSA-N

ID: 129376

SMILES:
c12cc(O)c(O)cc1Cc1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: Not available

InChIKey:
GHRIMDPWZUZSKX-UHFFFAOYSA-N

ID: 129377

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)c(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 129378

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.706

InChIKey:
CREXFHHKCDNSEB-UHFFFAOYSA-N

ID: 129379

SMILES:
C(C12C3[CH]C(C(=O)C=C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(c1)O2)OC3=O)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 465.61

CB1 binding score: -13.331

InChIKey:
ADLCEEJKAIKSHT-UHFFFAOYSA-N

ID: 129380

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -18.334

InChIKey:
HXPWAXPFMKPESR-UHFFFAOYSA-N

ID: 129381

SMILES:
O=C1c2c(O)cc(CCC)cc2OC(C)(CCC=C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.427

InChIKey:
UICJWNGMMYLYIP-UHFFFAOYSA-N

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129361–129381 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