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Molecule Identifiers
Molecular Properties

ID: 47377

SMILES:
C1(O)C2(C)C(C3(C(C)(C1)O)c1c(cc(CCCCC)cc1O)O3)OC(C(C)(O)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -14.637

InChIKey:
DPDUTUGRXVAASX-UHFFFAOYSA-N

ID: 47378

SMILES:
C1C(C)(C)C2C3(O)C(=C)C(=O)C2c2c(cc(CCCCC)cc2O)OC3(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.493

InChIKey:
NQMOTSWWZMGXMH-UHFFFAOYSA-N

ID: 47379

SMILES:
O1c2cc(CCCCC)cc(O)c2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 206.285

CB1 binding score: -16.033

InChIKey:
WXZQOWUEURRSAN-UHFFFAOYSA-N

ID: 47380

SMILES:
C(C(C)=CCc1c(O)cc(CCC)cc1O)(O)(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.214

InChIKey:
JGOWSSOAZHMMJM-UHFFFAOYSA-N

ID: 47381

SMILES:
C(CC(C)=CCc1c(O)c(C(=O)O)c(CCC)cc1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 47382

SMILES:
C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C2=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.296

InChIKey:
YIFNAYXIMHKOLX-UHFFFAOYSA-N

ID: 47383

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 47384

SMILES:
Oc1c(OC)c(CCCCC)c2c(c1)C1CC(C)(O2)CCC1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -17.733

InChIKey:
GUSUMMORRZMHQD-UHFFFAOYSA-N

ID: 47385

SMILES:
CC1(C)Oc2cc(OC)cc(O)c2C2C1CCC(C)=CCCC2=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.058

InChIKey:
WHOOPIDACWYRDV-UHFFFAOYSA-N

ID: 47386

SMILES:
CC1(O)CC(=O)C2C(C)(O1)CCC1c3c(cc(CCCCC)cc3OCO)CC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.977

InChIKey:
IGMGGDSYADIAOL-UHFFFAOYSA-N

ID: 47387

SMILES:
C(C1=CC2C(C=C1)C(C)(C)Oc1cc(CCCCC)cc(C(=O)O)c12)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -18.571

InChIKey:
FYLXVWGSCRQGFW-UHFFFAOYSA-N

ID: 47388

SMILES:
Oc1cc(CCCCC)cc(O)c1C1CC(C)CCC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -21.078

InChIKey:
LXIXAVCVBZBXIY-UHFFFAOYSA-N

ID: 47389

SMILES:
C(CCCC)c1cc(O)c2c(c1)C1C(CC=C(C)C)C(C)=CCC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -15.883

InChIKey:
SWEPOVLOMLIIMY-UHFFFAOYSA-N

ID: 47390

SMILES:
C(CN)=C(C)Cc1c2c(ccc1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 327.468

CB1 binding score: -14.605

InChIKey:
DSDZRWKSALSYRE-UHFFFAOYSA-N

ID: 47391

SMILES:
OC1CC2C(C)(C)Oc3c(c(O)cc(C)c3)C2CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.781

InChIKey:
DPOYHLBYSQEDOL-UHFFFAOYSA-N

ID: 47392

SMILES:
c1(CC=C(CCC=C(C)C)C)cc(O)c(C(O)=O)c(CCCC)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.651

InChIKey:
RRTASHYNMOCNNG-UHFFFAOYSA-N

ID: 47393

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21)C=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -13.633

InChIKey:
RLFULKLPQYEFIV-UHFFFAOYSA-N

ID: 47394

SMILES:
C(CCC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 47395

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 47396

SMILES:
C(C=C(C)C)CC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -19.13

InChIKey:
IWSASXREQYAISF-UHFFFAOYSA-N

ID: 47397

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(CCC(=C)C1O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.502

InChIKey:
HDNJNVPZXVJOMB-UHFFFAOYSA-N

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47377–47397 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