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Molecule Identifiers
Molecular Properties

ID: 131692

SMILES:
c1(C)c(CCCC2(C)CCC(O)C(C)(C)O2)c(C)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -14.578

InChIKey:
DMYZUJFWMXDWOG-UHFFFAOYSA-N

ID: 131693

SMILES:
CC1(C(C=CC(C)=O)O)C2C(c3c(cc(CCC)cc3O)O1)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.878

InChIKey:
OILMDJXNHPGVDS-UHFFFAOYSA-N

ID: 131694

SMILES:
CC(C)C12C(OC(=O)C)CC(C)=CC1c1c(cc(CCCCC)cc1OC)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -13.486

InChIKey:
YUOBEXMMKXXHMX-UHFFFAOYSA-N

ID: 131695

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 131696

SMILES:
C12(C)C3(Oc4cc(CCCCC)cc(O)c4C13)CCC1C2CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.092

InChIKey:
FFWHDTMTBOPVIY-UHFFFAOYSA-N

ID: 131697

SMILES:
CC1(C)Oc2c(ccc(C)c2C)C2C1CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -15.98

InChIKey:
ZFOWNXSMPOHHOT-UHFFFAOYSA-N

ID: 131698

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(CO)(O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.074

InChIKey:
IBYCKWVLHVKZSU-UHFFFAOYSA-N

ID: 131699

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 131700

SMILES:
C(C)(C)CC(=O)c1c(O)cc(C)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.015

InChIKey:
WWBPJYHEBJLHOJ-UHFFFAOYSA-N

ID: 131701

SMILES:
O(C(=O)CCc1ccc(OC)c(O)c1)C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.058

InChIKey:
LMCIPPPEZFAAKI-UHFFFAOYSA-N

ID: 131702

SMILES:
C(C(Oc1c2c(c(O)cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)CC1)CCCCC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -16.479

InChIKey:
AUDYXOPIRSISRG-UHFFFAOYSA-N

ID: 131703

SMILES:
O1C2(CCC=C(C)CC(=O)O2)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.051

InChIKey:
DZNDCBIOLNDUGB-UHFFFAOYSA-N

ID: 131704

SMILES:
c12cc(=O)cccc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -16.41

InChIKey:
WKHDHOMHSWKHJO-UHFFFAOYSA-N

ID: 131705

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC2=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.689

InChIKey:
PWXVCOMJCQSEKH-UHFFFAOYSA-N

ID: 131706

SMILES:
CC(CC(C)C)C1=C(O)C(C2C=C(C)CCC2C(C)=C)=C(O)C(C)C1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -14.536

InChIKey:
VHZKIGYJUWACOY-UHFFFAOYSA-N

ID: 131707

SMILES:
O(c1cc(C)c2c(c1O)CC(C)CC2)CCCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -15.903

InChIKey:
XQBDTTLEVZCIFE-UHFFFAOYSA-N

ID: 131708

SMILES:
C1(C(=C)CCC2C(C)(C)O1)Cc1c(cc(CCCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.898

InChIKey:
NUGIBFSBQJSXQH-UHFFFAOYSA-N

ID: 131709

SMILES:
c1(C=CCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.334

InChIKey:
HJRYMUQWODLWCL-UHFFFAOYSA-N

ID: 131710

SMILES:
C12C=C(COC(=O)C)CC3CC(C)(C)C(O)C3(C1C)Cc1c2c(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.397

InChIKey:
QSPNPERXKJKNFC-UHFFFAOYSA-N

ID: 131711

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 131712

SMILES:
c1(OC)c2c(cc(C)c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.372

InChIKey:
VRVBUCRQGHWYCT-UHFFFAOYSA-N

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131692–131712 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