Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36508
- Core Entity Id
- 43773
- Source Entity Count
- 1
- Preferred Name
- (±)-virolongin
- Name En
- Pubchem Id
- 102271828
- Smiles Canonical
- CC=CC1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC)OC)OC
- Molecular Formula
- C23H30O6
- Molecular Weight
- 402.4870
- Inchikey
- KSYLISCRMLSHDL-CMDGGOBGSA-N
- Inchi
- InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8-9,11-15H,10H2,1-7H3/b9-8+
- Isomeric Smiles
- C/C=C/C1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.7727
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.5700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+-)-virolongin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+-)-virolongin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+-)-virolongin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
掌叶胡椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHANG YE HU JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Camphortreeleaf Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL3577193
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3577193
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+-)-virolongin掌叶胡椒ZHANG YE HU JIAOCamphortreeleaf PepperCHEMBL3577193
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048002HBIN048003
Tcmid
2251232211
Pub Chem
1022718285315248
Tcmbank
TCMBANKIN010880TCMBANKIN059436
Itcmdb Generated
ITX-INGREDIENT-A9ECB1EDE845
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8-9,11-15H,10H2,1-7H3/b9-8+InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8-9,11-15H,10H2,1-7H3/b9-8+/t15-/m1/s1
Mol Wt
402.4870000000001
Smiles
CC=CC1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC)OC)OC
Mol Log P
4.772700000000004
In Ch Ikey
KSYLISCRMLSHDL-CMDGGOBGSA-NKSYLISCRMLSHDL-XVJNWHFHSA-N
Tcm Name
掌叶胡椒
Tcm Name2
ZHANG YE HU JIAO
Mol2 Path
/TCM_database/2007_3d_all/22528.mol2
Reference
900
Num Hdonors
0
Tcm Name En
Camphortreeleaf Pepper
Drug Likeness
0.57
Num Hacceptors
6
Isomeric Smiles
C/C=C/C1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC)OC)OCC/C=C/C1=CC(=C(C(=C1)OC)O[C@H](C)CC2=CC(=C(C(=C2)OC)OC)OC)OC
Canonical Smiles
CC=CC1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC)OC)OC
Herb Alias Names
CHEMBL3577193
Molecular Formula
C23H30O6
Molecular Formula
C23H30O6
Num Rotatable Bonds
10