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Molecule Identifiers
Molecular Properties

ID: 38767

SMILES:
CC1(C)C2C(C=C(C)CC2)c2c(cc(C(=O)O)cc2OC)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.693

InChIKey:
PFUVVIFIJXTHKN-UHFFFAOYSA-N

ID: 38768

SMILES:
c1c(C)cc2c(c1)C(C)(C)Oc1c-2cc(CCCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -16.103

InChIKey:
UMVOBWWKOFPJTB-UHFFFAOYSA-N

ID: 38769

SMILES:
C(O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.526

InChIKey:
ZPOLKZPPTQFMIH-UHFFFAOYSA-N

ID: 38770

SMILES:
C1C(C(C)=C)C(c2c(O)ccc(CCCCC)c2)C=C(C(OC)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.048

InChIKey:
IFNIXKXXHCCZKV-UHFFFAOYSA-N

ID: 38771

SMILES:
OCC1C(O)C(O)C(O)C(Oc2cc(CC=C(C)CCC=C(C)C)c3c(c2O)OC(C)(C)C2C3C=C(C)CC2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 558.712

CB1 binding score: -16.077

InChIKey:
OQWGVKSYWPQJNI-UHFFFAOYSA-N

ID: 38772

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 38773

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C(=O)O)C(C=C)OC(C)C1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -14.505

InChIKey:
ZEEDNWVVFUZNKE-UHFFFAOYSA-N

ID: 38774

SMILES:
c1(O)cc2c(cc1C)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.07

InChIKey:
JAQQPODSAWTCBC-UHFFFAOYSA-N

ID: 38775

SMILES:
C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -16.885

InChIKey:
ZGTZBRKFZJGQFD-UHFFFAOYSA-N

ID: 38776

SMILES:
O1c2c(cc(C)c(CCCC(C)=C)c2)C=CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -15.556

InChIKey:
HKRQNHWFBBGYCY-UHFFFAOYSA-N

ID: 38777

SMILES:
C(O)C(C)C1CCCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.984

InChIKey:
MITNOMTTXQWHQI-UHFFFAOYSA-N

ID: 38778

SMILES:
CC12Oc3c(c(O)cc(CCC)c3)C3C1C(C(O)(C)CCC3C(C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cannabinoids;Guaiane sesquiterpenoids

MW: 372.549

CB1 binding score: -16.108

InChIKey:
RHVOBNVHTXGVGA-UHFFFAOYSA-N

ID: 38779

SMILES:
Oc1c2c(c(O)c3c1OC(=O)C3=CC=C(CO)CCC=C(C)C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.574

CB1 binding score: -15.288

InChIKey:
NDZNWKNGLUZAAZ-UHFFFAOYSA-N

ID: 38780

SMILES:
CC1(C)C(c2c(O)cc(CCC)cc2O)CC(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -14.123

InChIKey:
DSQUEXIHWHVILC-UHFFFAOYSA-N

ID: 38781

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: 38782

SMILES:
C12(C)C(O)C(c3c(O)c(C(=O)O)c(CCC)cc3O)OC(C)(C)C1CCC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -15.385

InChIKey:
MIJCZNVUIFQLDS-UHFFFAOYSA-N

ID: 38783

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2c2c(cccc2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.475

CB1 binding score: -14.73

InChIKey:
DTDWFNWVTRXUBP-UHFFFAOYSA-N

ID: 38784

SMILES:
C(=C(C)C)CCc1c2c(ccc1CCC)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.562

CB1 binding score: -14.429

InChIKey:
RRGSWGGJCPICCS-UHFFFAOYSA-N

ID: 38785

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 38786

SMILES:
C(CCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.269

InChIKey:
SEZYEGYUECNXNK-UHFFFAOYSA-N

ID: 38787

SMILES:
c12cc(C)ccc1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.213

InChIKey:
ABQUTLCPMMOSHA-UHFFFAOYSA-N

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38767–38787 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