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Molecule Identifiers
Molecular Properties

ID: 86164

SMILES:
CC(C1CCC(=C)CC1c1c(CCCCC)cc(O)cc1O)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.335

InChIKey:
RZZXJGFVCWFEGF-UHFFFAOYSA-N

ID: 86165

SMILES:
C(C=C(C)CC(C1C(C)(C)O1)O)CC(C)=CCc1c(O)c(C)cc(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.85

InChIKey:
MHKOEMJZMYRMMZ-UHFFFAOYSA-N

ID: 86166

SMILES:
c1(O)cc(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 86167

SMILES:
C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC1CC(CO)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -15.67

InChIKey:
OVSADEZTLFQHMT-UHFFFAOYSA-N

ID: 86168

SMILES:
C(Cc1cc(O)c2c(c1O)OC(C)(C)C1CC=C(C)CC21)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.519

InChIKey:
KZYYKAFYKYKGGE-UHFFFAOYSA-N

ID: 86169

SMILES:
c1(C)cc2c(c(O)c1)-c1cc(C)ccc1C(C=C(C=O)C)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.431

CB1 binding score: -13.732

InChIKey:
WZBFGLNCTONGQO-UHFFFAOYSA-N

ID: 86170

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

ID: 86171

SMILES:
CC(C)C=CC=C(C)C1C2C(=C(C)CC1)Oc1c2c(O)c(C(CCCCC)O)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -14.58

InChIKey:
WORMESTUXKKJJQ-UHFFFAOYSA-N

ID: 86172

SMILES:
C(CCC)Cc1cc(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: 86173

SMILES:
C12(CCCCC1)Oc1c(c(O)cc(CCCCCC)c1)C(=O)C(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -12.991

InChIKey:
RRHRPVLHIDAZKA-UHFFFAOYSA-N

ID: 86174

SMILES:
Oc1cc(CCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 86175

SMILES:
O[N+](O)c1c(CCCCC)cc2c(c1O)C1C(C(=C)C)CCC(C)(O)C1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 377.481

CB1 binding score: -16.079

InChIKey:
YMKWSWXBKLSJHL-UHFFFAOYSA-N

ID: 86176

SMILES:
O(C(=O)C)CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.636

InChIKey:
JEMZZGFBKBSFAI-UHFFFAOYSA-N

ID: 86177

SMILES:
C12C(C)(C)Oc3c(c(OC)cc(C(=O)c4ccccc4)c3OC)C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.495

CB1 binding score: -14.209

InChIKey:
CQDFRPOPJPLXNE-UHFFFAOYSA-N

ID: 86178

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.015

InChIKey:
HVBPFDLSWQCEJE-UHFFFAOYSA-N

ID: 86179

SMILES:
CCCCCCCCc1cc(O)c(C2C(C(C)=C)CC=C(C)C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -16.234

InChIKey:
VJAZELYKYCKNHH-UHFFFAOYSA-N

ID: 86180

SMILES:
Oc1c(C2CC(=C)C3CCC(C)C3C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.072

InChIKey:
QHONVOSBAMLUSP-UHFFFAOYSA-N

ID: 86181

SMILES:
C(CCCCC(=O)OCC1=CC2C(CC1)C(C)(C)Oc1c(cc(O)cc1)C2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.422

InChIKey:
ZJVZMZOKZOHEAJ-UHFFFAOYSA-N

ID: 86182

SMILES:
c1(CCCO)cc2c(c(O)c1)C1CC(CCC=C(C)C)=CCC1C(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.882

InChIKey:
CAHCQRILOSLQBX-UHFFFAOYSA-N

ID: 86183

SMILES:
C(=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 86184

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

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86164–86184 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