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Molecule Identifiers
Molecular Properties

ID: 134464

SMILES:
c1(C(C)(CO)C)cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.393

InChIKey:
FRFISQOZJGUXFR-UHFFFAOYSA-N

ID: 134465

SMILES:
CC12Oc3c(c(O)cc(CCCCC)c3)CC1CC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.867

InChIKey:
HVYXHBNGOPKAIF-UHFFFAOYSA-N

ID: 134466

SMILES:
CC1(C)C2OCC2C2C3(C)C(=O)c4c(O)cc(CCCCC)cc4OC3(C)CC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: Not available

InChIKey:
MWDIAZBEKHPSKB-UHFFFAOYSA-N

ID: 134467

SMILES:
Oc1c(OC)c(C)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.654

InChIKey:
MWDJYNZOIBISNT-UHFFFAOYSA-N

ID: 134468

SMILES:
C(c1cc2c(cc1OC)-c1c(O)cc(CCCCC)cc1OC(C)(C)C2=C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.484

CB1 binding score: -13.604

InChIKey:
HFIBQXCGBDSVNC-UHFFFAOYSA-N

ID: 134469

SMILES:
C1(C)(C)Oc2ccc(O)cc2C2C=C(C)CCC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 134470

SMILES:
C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 134471

SMILES:
c1(O)cc2c(cc1CCCCC)OC(C)(C)C1CCC(C(=O)OC)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.598

InChIKey:
ZTHVGUXKHHJLFT-UHFFFAOYSA-N

ID: 134472

SMILES:
C(CCC1(C)C=Cc2c(O)cc(C)cc2O1)C(C)(C)OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.463

InChIKey:
UTJLWFCQICZWKU-UHFFFAOYSA-N

ID: 134473

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 134474

SMILES:
C(=O)(c1c(O)c(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1C(C=CC=C(C)C)C)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.603

CB1 binding score: -12.638

InChIKey:
DBUPHYMUCGIVKP-UHFFFAOYSA-N

ID: 134475

SMILES:
c1(C(C)C)c2c(c(C=O)c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.743

InChIKey:
ARVXXLCJFDJCFE-UHFFFAOYSA-N

ID: 134476

SMILES:
C1(CCC=C(C)C)(C)C(O)Cc2c(c(C(OC)=O)c(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -17.357

InChIKey:
OVYDBIKURVSXTF-UHFFFAOYSA-N

ID: 134477

SMILES:
COC1(C)CCC(C(=C)C)C1c1c(O)c(C(=O)O)c(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -12.73

InChIKey:
ANEWECUCTTYJGH-UHFFFAOYSA-N

ID: 134478

SMILES:
C1(C)CCC(C(=COC)C(=O)OC)CC2c3c(O)cc(C)cc3OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.605

InChIKey:
GNUVYUSJIZYSOI-UHFFFAOYSA-N

ID: 134479

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(=O)C1C1C(CC(C)(C)C1)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.034

InChIKey:
ZAZAWXYNTUHBRF-UHFFFAOYSA-N

ID: 134480

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -12.687

InChIKey:
NQTAMUKFUPTHAN-UHFFFAOYSA-N

ID: 134481

SMILES:
C1(C(=C)CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -12.261

InChIKey:
HDTIZHQOBOELEF-UHFFFAOYSA-N

ID: 134482

SMILES:
C1=CC2(CC(Br)C(C)(C)OC2OC(=O)C)C2(C)c3c(O)cc(CCCCC)cc3OC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 507.465

CB1 binding score: -16.686

InChIKey:
VAULHABBMJLHKL-UHFFFAOYSA-N

ID: 134483

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1)CCCC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.748

InChIKey:
PPFIPJMIDRJHBV-UHFFFAOYSA-N

ID: 134484

SMILES:
O(c1cc(C2C=C(C)C(O)CC2C(C)=C)cc(CCCCC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.633

InChIKey:
JUZIQDVNPAAELR-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties