Browse

Molecule Identifiers
Molecular Properties

ID: 79591

SMILES:
C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1(O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.06

InChIKey:
JYGFHPCUGMOSCT-UHFFFAOYSA-N

ID: 79592

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -14.196

InChIKey:
ZGOKFZQIXPENRD-UHFFFAOYSA-N

ID: 79593

SMILES:
c1(O)c2c(cc(C)c1)OC(C)(C)c1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 240.302

CB1 binding score: -18.341

InChIKey:
HDTNPKHDRZGWQJ-UHFFFAOYSA-N

ID: 79594

SMILES:
C1=C(C)CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.485

InChIKey:
UOLFVTXVWQDBHF-UHFFFAOYSA-N

ID: 79595

SMILES:
C12CC(OC(C)=O)C(=C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.402

InChIKey:
ZREHUYKORCUCPS-UHFFFAOYSA-N

ID: 79596

SMILES:
C(O)(c1cc(OC)c2c(c1)OC(C)(C)C1CC=C(CCC=C(C)C)CC12)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.604

InChIKey:
NLHBDRDTPACOOA-UHFFFAOYSA-N

ID: 79597

SMILES:
C(C)(C1CCC(C)CC1OC(=O)c1c(-c2c(O)cc(CCCCC)cc2O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 604.828

CB1 binding score: -15.3

InChIKey:
DLNWGNQIJDPMLB-UHFFFAOYSA-N

ID: 79598

SMILES:
c12c(cc(CCCCC)cc1O)OC1(C)C=CC(C(C)C)CCc1c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -14.18

InChIKey:
INFVMLMOSAZHAG-UHFFFAOYSA-N

ID: 79599

SMILES:
c1(C=CC(C)=CCC(C(C)=C)CC2OC2(C)C)cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -13.569

InChIKey:
LPFWBGKYZQQSHF-UHFFFAOYSA-N

ID: 79600

SMILES:
CC(C)=C1CCC(C)CC1c1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -17.67

InChIKey:
ZYFQJLZSKUNFJR-UHFFFAOYSA-N

ID: 79601

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.035

InChIKey:
KEAXRVVDSBXMMT-UHFFFAOYSA-N

ID: 79602

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 79603

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -14.557

InChIKey:
IGHWRBYFTIEFHP-UHFFFAOYSA-N

ID: 79604

SMILES:
c1(O)c(CC=C(C)C)c2c(cc1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.451

InChIKey:
SQLFKUCZCPEXLB-UHFFFAOYSA-N

ID: 79605

SMILES:
C1C=C(C(=C)CC=CC(C)(C)O)C(c2c(O)c(O)cc(CCCCC)c2)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.068

InChIKey:
RMNACGFVTJNLEK-UHFFFAOYSA-N

ID: 79606

SMILES:
c1c(O)c2c(cc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.766

InChIKey:
GNBSKWGIRCMMKP-UHFFFAOYSA-N

ID: 79607

SMILES:
CCCCCCc1ccc2c(c1C(O)=O)OC(C)(C)C1C2CC(C)(O)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.717

InChIKey:
OUFRFLYPOSMPMD-UHFFFAOYSA-N

ID: 79608

SMILES:
CC1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.32

InChIKey:
WWYMYGIVLCKTBL-UHFFFAOYSA-N

ID: 79609

SMILES:
CCCCCCc1cc(O)c2c(c1C)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.215

InChIKey:
LWDJNODEGLCZSH-UHFFFAOYSA-N

ID: 79610

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: 79611

SMILES:
c1cc(CCC)c(O)c2c1OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.711

InChIKey:
FJUCZTNBMSXJPJ-UHFFFAOYSA-N

◀3788378937903791379237933794▶
79591–79611 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