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Molecule Identifiers
Molecular Properties

ID: 130726

SMILES:
c1c(C(OC)C(C)C)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.718

InChIKey:
FNHVAXORWMSLLE-UHFFFAOYSA-N

ID: 130727

SMILES:
CC1(C)C2CCC(C)=CC2c2c(cc(CCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 130728

SMILES:
c1(CC)c(O)c(C=O)c2c(c1O)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -15.588

InChIKey:
ZGSFKLBAZIWWGL-UHFFFAOYSA-N

ID: 130729

SMILES:
C1C(CO)=CC2c3c(O)cc(CCc4ccc(O)cc4)cc3OC(C)(C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.484

CB1 binding score: -15.786

InChIKey:
IYMVRODPFMBGFL-UHFFFAOYSA-N

ID: 130730

SMILES:
Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CCC(O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 130731

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(CO)(O)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.851

InChIKey:
XCUQJSFGVUWMGD-UHFFFAOYSA-N

ID: 130732

SMILES:
C(=CCc1cc(O)c(C2CC(C(C)(C)O)C(OC)C2C(C)=C)c(O)c1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -14.038

InChIKey:
HHZBRTQKZNSXAY-UHFFFAOYSA-N

ID: 130733

SMILES:
C1C2(C)C(C3C(C1)C(C)(C)Oc1cc(O)cc(CCc4ccc(O)c(OC)c4)c1C3)CCC(=C)C2CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 544.776

CB1 binding score: -13.337

InChIKey:
AUSZRHFXQWBPHU-UHFFFAOYSA-N

ID: 130734

SMILES:
C(=C)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -19.892

InChIKey:
IHDZBQSJFRBIMW-UHFFFAOYSA-N

ID: 130735

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 130736

SMILES:
C(=C(C)C)CCC(C)=CCc1c(O)cc(CC=C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.051

InChIKey:
TXLIVWXFPYVBTA-UHFFFAOYSA-N

ID: 130737

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130738

SMILES:
C(=O)C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 130739

SMILES:
C1=C(C)C2C(C1)C(C)(C)Oc1c2c(CCCCC)cc2c1OC(C(=O)CCc1ccc(O)c(O)c1)(C)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 546.748

CB1 binding score: -15.748

InChIKey:
SUCKMIWIUAIITM-UHFFFAOYSA-N

ID: 130740

SMILES:
c12cc(O)ccc1OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 130741

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -18.429

InChIKey:
XNOCSWSKTNSAEC-UHFFFAOYSA-N

ID: 130742

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C(CC(C)C(C)O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -14.435

InChIKey:
SBRKLISZWBDZKL-UHFFFAOYSA-N

ID: 130743

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 130744

SMILES:
O=C1C=C(C)C(O)(Cc2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.519

InChIKey:
GMSBMXFNQLPYFV-UHFFFAOYSA-N

ID: 130745

SMILES:
CC(C1C2Oc3c(c(O)cc(CCCCC)c3)C1C(O)C(=C)CC2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.943

InChIKey:
ZHSPLXYXBGZFTJ-UHFFFAOYSA-N

ID: 130746

SMILES:
C12=Cc3c(O)cc(CCCCC)cc3OC1(C)CCC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.8

InChIKey:
UGYMSRURRGKIJA-UHFFFAOYSA-N

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130726–130746 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