Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27889
- Core Entity Id
- 34184
- Source Entity Count
- 1
- Preferred Name
- Norcowanin
- Name En
- Pubchem Id
- 11518330
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)C)C
- Molecular Formula
- C28H32O6
- Molecular Weight
- 464.5580
- Inchikey
- YACCKSNWKYYRID-LICLKQGHSA-N
- Inchi
- InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-19-24-22(14-21(30)26(19)31)34-23-13-20(29)18(11-9-16(3)4)27(32)25(23)28(24)33/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.5125
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norcowanin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Norcowanin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norcowanin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Norcowanin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
云南山竹子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN SHAN ZHU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Garcinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-1-(3,7-Dimethylocta-2,6-dien-1-yl)-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-(3,7-Dimethylocta-2,6-dien-1-yl)-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-((2E)-3,7-dimethylocta-2,6-dienyl)-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
158511-56-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
158511-56-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL463409
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL463409
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12241932
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL12241932
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南山竹子YUN NAN SHAN ZHU ZIYunnan Garcinia(E)-1-(3,7-Dimethylocta-2,6-dien-1-yl)-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one1-((2E)-3,7-dimethylocta-2,6-dienyl)-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-enyl)xanthen-9-one1-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-enyl)xanthen-9-one158511-56-9CHEMBL463409SCHEMBL12241932
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037314
Npass
NPC236796
Tcmid
15719
Pub Chem
11518330
Tcmbank
TCMBANKIN040108
Etcm Ingredient
Norcowanin
Itcmdb Generated
ITX-INGREDIENT-EEA31C8F51EC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-19-24-22(14-21(30)26(19)31)34-23-13-20(29)18(11-9-16(3)4)27(32)25(23)28(24)33/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
Mol Wt
464.5580000000002
Mol Log P
6.512500000000008
In Ch Ikey
YACCKSNWKYYRID-LICLKQGHSA-N
Tcm Name
云南山竹子
Tcm Name2
YUN NAN SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/15728.mol2
Reference
2716
Num Hdonors
4
Tcm Name En
Yunnan Garcinia
Drug Likeness
0.18
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)C)C
Herb Alias Names
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-enyl)xanthen-9-one158511-56-91-((2E)-3,7-dimethylocta-2,6-dienyl)-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-enyl)xanthen-9-oneCHEMBL463409SCHEMBL12241932(E)-1-(3,7-Dimethylocta-2,6-dien-1-yl)-2,3,6,8-tetrahydroxy-7-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Molecular Weight
464.220
Molecular Weight
464.5 g/mol
Molecular Formula
C28H32O6
Molecular Formula
C28H32O6
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.201
Quantitative Estimate Of Drug Likeness（Qed）
0.180