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Molecule Identifiers
Molecular Properties

ID: 123859

SMILES:
Cc1cc2c(c(OC)c1OC)C1C=C(C(O)=O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -16.956

InChIKey:
IEISHSOUMVKTNN-UHFFFAOYSA-N

ID: 123860

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 123861

SMILES:
CC1(C=C)CCC(C(C)=C)C(c2cc(CCCCC)cc(O)c2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.802

InChIKey:
MQUYGALIXLDPJW-UHFFFAOYSA-N

ID: 123862

SMILES:
c1c2c(ccc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 123863

SMILES:
C(C1C2C3C(C)(C)Oc4ccc(O)c(c42)C1C3)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.046

InChIKey:
PIZAIAJEVUWRBO-UHFFFAOYSA-N

ID: 123864

SMILES:
CC(C)=CCc1c(O)ccc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.571

InChIKey:
GJHADUZRXUOUDM-UHFFFAOYSA-N

ID: 123865

SMILES:
C=C(C1C(O)CC(C)=CC1c1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.955

InChIKey:
UKTDGUHOBZBFHV-UHFFFAOYSA-N

ID: 123866

SMILES:
C1(C)=CCCC(C)=CCc2c(c(OC(=O)C)cc(CCCCC)c2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.329

InChIKey:
QQPITPSDZWZQFR-UHFFFAOYSA-N

ID: 123867

SMILES:
C(C)(C=CCC(=CCCC1(C)Oc2c3c(OC)cc(O)c2CC3C1=O)C)(C)OCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -12.917

InChIKey:
QLHOEDPDGRKPBT-UHFFFAOYSA-N

ID: 123868

SMILES:
C1CC(C)=CC(c2c(O)cc(CCN)cc2)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 299.458

CB1 binding score: -14.003

InChIKey:
DQBQHFKVQJNFTO-UHFFFAOYSA-N

ID: 123869

SMILES:
C(C)(OC)(c1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.077

InChIKey:
MGSZLTHJTHLFLU-UHFFFAOYSA-N

ID: 123870

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -18.047

InChIKey:
IRHPYIJZFNTKEW-UHFFFAOYSA-N

ID: 123871

SMILES:
C1C(=C)C(O)CC(c2c(O)cc(CCCCC)cc2OC)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.425

InChIKey:
AEPLVFGQPQMLKB-UHFFFAOYSA-N

ID: 123872

SMILES:
c1(CC=C(CC=CC(C)(OO)C)C)cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -15.539

InChIKey:
QYUWFPDTWIFVCP-UHFFFAOYSA-N

ID: 123873

SMILES:
CC(=O)c1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.015

InChIKey:
HKXCHTAOFLNIHU-UHFFFAOYSA-N

ID: 123874

SMILES:
c12cc(c(OC)cc1)-CC1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.672

InChIKey:
WACKXWJGYFRHKE-UHFFFAOYSA-N

ID: 123875

SMILES:
CC1(C)Oc2cc(CCCCC)cc(Oc3ccccc3)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.448

CB1 binding score: -17.146

InChIKey:
WKDROLSAVUJWNK-UHFFFAOYSA-N

ID: 123876

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC(O)C=CCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -13.63

InChIKey:
AFRXPRPYUPNOPP-UHFFFAOYSA-N

ID: 123877

SMILES:
C(CC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 123878

SMILES:
CC(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.871

InChIKey:
GVBOPFWGWWXFRA-UHFFFAOYSA-N

ID: 123879

SMILES:
O(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -18.368

InChIKey:
ITFFTDCUKOZSIX-UHFFFAOYSA-N

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123859–123879 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