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Molecule Identifiers
Molecular Properties

ID: 134716

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 134717

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.691

InChIKey:
JUCOHRGEXRGBDB-UHFFFAOYSA-N

ID: 134718

SMILES:
C(=CCCC(=CCc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.681

CB1 binding score: -16.502

InChIKey:
NVYLKCNFJBFDSM-UHFFFAOYSA-N

ID: 134719

SMILES:
c12cc(CCCC(O)=O)cc(O)c1C1=C(C(C)(C)O2)CCC(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.618

InChIKey:
QMCNLUCKJOJAAZ-UHFFFAOYSA-N

ID: 134720

SMILES:
c1(COC)c(CCOC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.218

InChIKey:
WFENHCNDMUZOQG-UHFFFAOYSA-N

ID: 134721

SMILES:
O1c2cc(CCCCC)cc(O)c2C=CC1(C)CCC=C(C)CCC=C(C(CC=C(C)C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -15.395

InChIKey:
LYBNMMRWEAZCFJ-UHFFFAOYSA-N

ID: 134722

SMILES:
C1c2c(O)cc(CCC)cc2OC(C)(C)C(OC(CC(C)C)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.749

InChIKey:
ZRZUEQWYIHGNAM-UHFFFAOYSA-N

ID: 134723

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 134724

SMILES:
O(c1cc(C)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.77

InChIKey:
QWZNEURZSDQWCN-UHFFFAOYSA-N

ID: 134725

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC2C1)=CC=CC1COC(=O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -15.963

InChIKey:
OXJMDIIEEAFPOR-UHFFFAOYSA-N

ID: 134726

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.291

InChIKey:
PHHXAEXFZQRSRU-UHFFFAOYSA-N

ID: 134727

SMILES:
c1(O)c(CC=C(C)CC(C(=C)C)CC=C(C)C)cc(CCCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -14.957

InChIKey:
NZCDOYPAERSWPG-UHFFFAOYSA-N

ID: 134728

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.921

InChIKey:
CYXRFZXYMJQKDW-UHFFFAOYSA-N

ID: 134729

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(O)C(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 134730

SMILES:
C1(C)(C)Oc2cc(OC(OCC(CO)C)=O)c(CC=C)cc2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -14.605

InChIKey:
RSYBDAVMTNIXGC-UHFFFAOYSA-N

ID: 134731

SMILES:
CC(C)=CCCC1(C)C=Cc2c(c(O)cc(CCC)c2O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.619

InChIKey:
ADXDOXHSRNCOQZ-UHFFFAOYSA-N

ID: 134732

SMILES:
C1C(C)=CC(c2cc(CCCCC)ccc2O)C(C(C)=C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.76

InChIKey:
INGQGHSGNLGKCN-UHFFFAOYSA-N

ID: 134733

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C(O)C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 134734

SMILES:
CC(C(C1C(=O)C=C(C)CC2c3c(O)cc(CCCCC)cc3OC12)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.99

InChIKey:
FFANZJGLTWDKLE-UHFFFAOYSA-N

ID: 134735

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 134736

SMILES:
C(CC(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)(C)C)C(O)C(C)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.618

CB1 binding score: -14.851

InChIKey:
XGYDXANBAHQPRA-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties