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Molecule Identifiers
Molecular Properties

ID: 37717

SMILES:
C(C)(C)=CCc1c(O)c2c(cc1OC)OC(C)(C)C1C2C=C(C=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -17.417

InChIKey:
WJSBLZDFKXTNMS-UHFFFAOYSA-N

ID: 37718

SMILES:
C12CCC3C(C)(C)Oc4c(c(O)cc(C)c4)C3C1(C)CCC2C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.095

InChIKey:
FZNFKTJPOPMHDQ-UHFFFAOYSA-N

ID: 37719

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -16.055

InChIKey:
ASCNQWLQTDUQDB-UHFFFAOYSA-N

ID: 37720

SMILES:
Cc1cc2c(c(O)c1O)-c1c(OC)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.111

InChIKey:
JBKRTECYCXMJQN-UHFFFAOYSA-N

ID: 37721

SMILES:
C1(c2c(O)cc(CCCCC)cc2)C(C(C)(C)OC)=CCC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.174

InChIKey:
CWXKBMXHYAMHQW-UHFFFAOYSA-N

ID: 37722

SMILES:
O=C(C(C)=C)Oc1c(O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -14.384

InChIKey:
VHIIVSRLRSXSNI-UHFFFAOYSA-N

ID: 37723

SMILES:
C(C(c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC(CO)(O)CC1)(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.591

CB1 binding score: -10.689

InChIKey:
YADKUXWHVFRIPA-UHFFFAOYSA-N

ID: 37724

SMILES:
C(C)CCc1cc(O)cc2c1C1C(C(=C)C)CCC2(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -14.248

InChIKey:
PWTZXPHPFDPSQG-UHFFFAOYSA-N

ID: 37725

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)=C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.828

InChIKey:
MHHSSHQFSKAMDO-UHFFFAOYSA-N

ID: 37726

SMILES:
CC(CCC=C(C)C)=CCc1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 37727

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 37728

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(COC(C)=O)CC21)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.833

InChIKey:
KUXDVXVRZZGDMG-UHFFFAOYSA-N

ID: 37729

SMILES:
O1c2cc(CCCCC)cc(O)c2C2=C(CC3C4C(C)(CC=CC4(C)C)Oc4c(c(O)cc(C)c4)C32)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.733

CB1 binding score: -14.468

InChIKey:
QFZWGNKBMKJGFB-UHFFFAOYSA-N

ID: 37730

SMILES:
C(=C(C)C)CCC1(C)Oc2c(c(OC)cc(CCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.942

InChIKey:
UYHWQEJJUFTJGQ-UHFFFAOYSA-N

ID: 37731

SMILES:
C1(=O)C(=O)c2c(cc(CCCCC)cc2O)OC(C)(C)C=CCC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.605

InChIKey:
GVCQTNZLUMZMOG-UHFFFAOYSA-N

ID: 37732

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CCC(COC(CC(O)(C)CC(O)=O)=O)C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.61

CB1 binding score: -14.41

InChIKey:
TWRMXDBMJMNOSK-UHFFFAOYSA-N

ID: 37733

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(OC(C)=O)c(C=O)c(O)c3C(CCCC)C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.75

InChIKey:
FBFKIXGERRMXGH-UHFFFAOYSA-N

ID: 37734

SMILES:
C1(C)=CC2c3c(O)cc(CC)cc3OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.334

InChIKey:
JLIUTIIFVCIJKJ-UHFFFAOYSA-N

ID: 37735

SMILES:
C(C1CC(OC(CCC)=O)C(C)(C)Oc2c1c(-c1ccccc1)cc(C)c2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -14.153

InChIKey:
XXQFSKGVMUGWDJ-UHFFFAOYSA-N

ID: 37736

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.582

InChIKey:
PDYKIGRVNVKGPA-UHFFFAOYSA-N

ID: 37737

SMILES:
CC(C)=CC(=O)c1c(O)c2c(cc1OC)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -8.927

InChIKey:
POPAGVPBDAWGHI-UHFFFAOYSA-N

1794179517961797179817991800
37717–37737 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