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Molecule Identifiers
Molecular Properties

ID: 132553

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 132554

SMILES:
c1(O)c(O)c(C)cc(OC)c1C1C=C(CCC=C(C)C)CC(O)C1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.85

InChIKey:
VEEKTOJFGCKIBP-UHFFFAOYSA-N

ID: 132555

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 132556

SMILES:
c1(CC(O)C(C)=C)cc(C2CC(C)=CCCC2C(C)=C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.287

InChIKey:
LINQRCHVOTYSCO-UHFFFAOYSA-N

ID: 132557

SMILES:
C1C2(C)OC(C(=CCCC(C)=CCc3cc(O)cc(C)c3O)CO2)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.624

InChIKey:
UFJOLBMAPUHFIJ-UHFFFAOYSA-N

ID: 132558

SMILES:
CC(c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.72

InChIKey:
MRWXCLDGBJQAHZ-UHFFFAOYSA-N

ID: 132559

SMILES:
C1(C(O)(C)C)Oc2c(c(O)c(C(OC)=O)c(CCCCC)c2)C2C1C=C(C)C(=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.514

CB1 binding score: -13.522

InChIKey:
LIGQYCRAYNPUEV-UHFFFAOYSA-N

ID: 132560

SMILES:
c1(OC)c(C=C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -8.852

InChIKey:
HTPYRIOBCTXWLU-UHFFFAOYSA-N

ID: 132561

SMILES:
O1C(C(C)(O)C)CCC1(C)C(O)Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.498

CB1 binding score: -15.327

InChIKey:
FQSZWUOMTQFYBY-UHFFFAOYSA-N

ID: 132562

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 132563

SMILES:
C1(O)C(OC(C)=O)C(COC(=O)C)OC1c1cc(O)c2c(c1)OC(C)(C)C1C2C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.55

CB1 binding score: -15.404

InChIKey:
OQVUPIGGYYASAY-UHFFFAOYSA-N

ID: 132564

SMILES:
C(C12CCC3C4C1C(=O)C4(CC2C)Oc1c(ccc(CCCCCCCCC)c1)C3(C)C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.679

CB1 binding score: -15.62

InChIKey:
VRGHUROSAJMDEF-UHFFFAOYSA-N

ID: 132565

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.821

InChIKey:
CUWJKLPAOPPJHN-UHFFFAOYSA-N

ID: 132566

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 132567

SMILES:
c1c(C(O)C(O)=O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -14.337

InChIKey:
QRLNUYNXVSQQCI-UHFFFAOYSA-N

ID: 132568

SMILES:
O=C(c1c(COC(=O)C)c(C2C=C(C)CCC2C(C)=C)cc(O)c1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -12.003

InChIKey:
QWIXLSKADQSHKF-UHFFFAOYSA-N

ID: 132569

SMILES:
C(Cc1c(OC)c(O)c2c(c1OC)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.502

InChIKey:
QYTXBYWIHQQHRV-UHFFFAOYSA-N

ID: 132570

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.165

InChIKey:
PYRQBHXPVFZZEN-UHFFFAOYSA-N

ID: 132571

SMILES:
C(CC)c1c(O)c(CC=C(CCC=C(C)C)C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.708

InChIKey:
RPJFNDMWNLYLOA-UHFFFAOYSA-N

ID: 132572

SMILES:
c1(O)c(C2(OC)CC(=C)CCC2C(C)C)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.122

InChIKey:
DCRWUYOPBXZBLJ-UHFFFAOYSA-N

ID: 132573

SMILES:
c1(O)c(OC)ccc(CCc2cc(O)c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)c2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.646

CB1 binding score: -15.616

InChIKey:
XSCUEBDUUSLXMO-UHFFFAOYSA-N

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132553–132573 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