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Molecule Identifiers
Molecular Properties

ID: 138790

SMILES:
CC(=CCc1cc(C2C(C(=C)C)CCC(C)=C2)c(O)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.364

InChIKey:
GSPLFILKQXXBKL-UHFFFAOYSA-N

ID: 138791

SMILES:
C12C(O)(CCC1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -17.134

InChIKey:
YSYVJOJPHMLSBY-UHFFFAOYSA-N

ID: 138792

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC(=O)C)c2C2(C)CCCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.527

InChIKey:
CKCUSTCKWIWZNP-UHFFFAOYSA-N

ID: 138793

SMILES:
C1CC(C(=C)C)CC2(O)C1(C)Oc1cc(C(CC(=O)CCC)C(OC)CC(=O)OC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.594

CB1 binding score: -15.432

InChIKey:
XVJBJTXQDHHBTK-UHFFFAOYSA-N

ID: 138794

SMILES:
c1c2c(cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 138795

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(=C)C)CCC2(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.123

InChIKey:
XJJCEMPLQMTXHP-UHFFFAOYSA-N

ID: 138796

SMILES:
C1C(C)(O)C(Cl)CC(C(=C)C)C(c2c(O)cc(CCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.902

CB1 binding score: -15.26

InChIKey:
WAEVJUQDSFWJMD-UHFFFAOYSA-N

ID: 138797

SMILES:
C(c1cc(C2C=C(C)CC(c3c(OC)ccc(CCN(C)C)c3)C2C(C)=C)c(O)cc1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 447.663

CB1 binding score: -17.717

InChIKey:
OGSVNEQIXOFXPJ-UHFFFAOYSA-N

ID: 138798

SMILES:
c1(O)c(C(COC(=O)C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.382

InChIKey:
ICXJLGMIELMUMG-UHFFFAOYSA-N

ID: 138799

SMILES:
CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 138800

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 138801

SMILES:
C(COc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)=C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -15.805

InChIKey:
STQPDJMEXPXSEP-UHFFFAOYSA-N

ID: 138802

SMILES:
c1c(CCCCC)cc2c(c1O)CC1C(C)(O2)CCC2OC(C(=C)C)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.547

InChIKey:
YUDWHIRDXZAANB-UHFFFAOYSA-N

ID: 138803

SMILES:
C12(CC=C(C)C)CCc3c(O)c(O)cc(CCCCC)c3OC1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.692

InChIKey:
RAHWEJLIWJFVQZ-UHFFFAOYSA-N

ID: 138804

SMILES:
CC1(c2cc(CCCCCCC)ccc2O)C(C(C)=C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.54

CB1 binding score: -15.138

InChIKey:
FMIHFHHSWDWKDM-UHFFFAOYSA-N

ID: 138805

SMILES:
C(C=C(C)C)CC1(C)C(O)Cc2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.686

InChIKey:
LLPMAUMTANBRBH-UHFFFAOYSA-N

ID: 138806

SMILES:
C1(C)CC(=O)C=C(COC(=O)C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.724

InChIKey:
CKSOXSZYDCSNPX-UHFFFAOYSA-N

ID: 138807

SMILES:
c12c3c(cc(C)c1Br)C(C)(C)Oc1c(c(O)cc(CO)c1)CC3C(C)=CC2C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 483.446

CB1 binding score: -15.031

InChIKey:
YOXGQDMNILOPHV-UHFFFAOYSA-N

ID: 138808

SMILES:
C12(C)C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.6

InChIKey:
XDPIWEJGHLJQAO-UHFFFAOYSA-N

ID: 138809

SMILES:
c1c(C2(C)OC(C)(C)CCC2)c(O)c(CC=C(C)C)cc1CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.066

InChIKey:
ICHNGNCNWVUPQZ-UHFFFAOYSA-N

ID: 138810

SMILES:
C(=C1CC2C(C(=O)C1)c1c(cc(O)cc1O)OC2(C)C)CCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.609

InChIKey:
RPPBSLNQGPNOOA-UHFFFAOYSA-N

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138790–138810 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