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Molecule Identifiers
Molecular Properties

ID: 132658

SMILES:
C1(=C)CCC2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 132659

SMILES:
C1C(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132660

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(OC)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -17.811

InChIKey:
XGUNHTRLRAWUSH-UHFFFAOYSA-N

ID: 132661

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)c(C(=O)O)c(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 132662

SMILES:
C=C(C=C)Cc1cc2c(cc1)C1C(C(C)(C)O2)CC(O)C(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -14.605

InChIKey:
UFCYBYIIQACSIZ-UHFFFAOYSA-N

ID: 132663

SMILES:
COc1cc2c(c(O)c1OCCN(CCCC)CCO)C1CC(=C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 433.589

CB1 binding score: -15.399

InChIKey:
MZFBJCRUGIFZRT-UHFFFAOYSA-N

ID: 132664

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.888

InChIKey:
XRVSXBLYAUVVFC-UHFFFAOYSA-N

ID: 132665

SMILES:
C1(O)(C)CCC2C(Oc3c(ccc(CCCCC)c3)C1)C(C(=C)C)CCC2(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.368

InChIKey:
MTEGLRASXDJVHW-UHFFFAOYSA-N

ID: 132666

SMILES:
O(c1c2c(cc(CCC)c1)-c1c(cc(CCCCC)cc1O)OC2(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.015

InChIKey:
PGHHUUQCLQWVDL-UHFFFAOYSA-N

ID: 132667

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 132668

SMILES:
c12cccc(c1C)C(C)(C)Oc1c-2c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.523

CB1 binding score: -16.513

InChIKey:
OQDSGTADRDAKSY-UHFFFAOYSA-N

ID: 132669

SMILES:
CC(C)=CCCC(=CCc1c(O)cc(CCCCCC)cc1OC(=O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.333

InChIKey:
DERDHYHEMZBAJF-UHFFFAOYSA-N

ID: 132670

SMILES:
C(=O)(O)c1c2c(c(O)c(CC(O)C)c1O)OC(C)(C)C1CCC(C=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.405

CB1 binding score: -15.628

InChIKey:
FDWGYIKIYSFUMB-UHFFFAOYSA-N

ID: 132671

SMILES:
Oc1cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.716

InChIKey:
MMMBBXWSLJXQAV-UHFFFAOYSA-N

ID: 132672

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132673

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CC=C(C)C1CC=C(C)C=CC(=O)C(C)C)C(=O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -13.831

InChIKey:
TZDRQKMDSASTEM-UHFFFAOYSA-N

ID: 132674

SMILES:
C(c1cc(CC2C(C(C)=C)CCC2(O)C)c(O)cc1)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -14.055

InChIKey:
AVHBRWWIWKPWDI-UHFFFAOYSA-N

ID: 132675

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.552

InChIKey:
IQQWVNYGBXVDNU-UHFFFAOYSA-N

ID: 132676

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 132677

SMILES:
C1C(C(C)(C)O)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -17.942

InChIKey:
PRKDRANYBPHDBW-UHFFFAOYSA-N

ID: 132678

SMILES:
C1(C)CCC2(O)C(C3C(C)=CCC3C1(C)C)Oc1c(c(O)cc(C)c1)C2CCC(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.665

InChIKey:
OSOVMVUWTNYWGX-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