Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24002
- Core Entity Id
- 29863
- Source Entity Count
- 1
- Preferred Name
- Kuvanon j
- Name En
- Pubchem Id
- 45485201
- Smiles Canonical
- CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=C(C=C(C=C5)O)O)O
- Molecular Formula
- C40H38O10
- Molecular Weight
- 678.7340
- Inchikey
- BDUDECZOBBDZCJ-CQZGAYFHSA-N
- Inchi
- InChI=1S/C40H38O10/c1-20(2)4-9-27-34(46)16-23(17-35(27)47)39(49)37-29(26-10-8-25(42)19-36(26)48)14-21(3)15-30(37)38-32(44)13-11-28(40(38)50)31(43)12-6-22-5-7-24(41)18-33(22)45/h4-8,10-13,15-19,29-30,37,41-42,44-48,50H,9,14H2,1-3H3/b12-6+/t29-,30+,37-/m1/s1
- Isomeric Smiles
- CC1=C[C@@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 7.4527
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.0500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kuvanon J
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Kuvanon J
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Kuvanon j
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kuvanon j
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
kuvanon J
Role
preferred
Source
TCMBank
Preferred
Yes
Name
BDBM50303005
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50303005
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL570475
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL570475
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BDBM50303005CHEMBL570475
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032413
Npass
NPC110882
Tcmid
38360
Sym Map
SMIT24942
Pub Chem
45485201
Tcmbank
TCMBANKIN025567
Itcmdb Generated
ITX-INGREDIENT-588353484DA5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C40H38O10/c1-20(2)4-9-27-34(46)16-23(17-35(27)47)39(49)37-29(26-10-8-25(42)19-36(26)48)14-21(3)15-30(37)38-32(44)13-11-28(40(38)50)31(43)12-6-22-5-7-24(41)18-33(22)45/h4-8,10-13,15-19,29-30,37,41-42,44-48,50H,9,14H2,1-3H3/b12-6+/t29-,30+,37-/m1/s1
Mol Wt
678.7340000000005
Smiles
CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=C(C=C(C=C5)O)O)O
Mol Log P
7.452700000000011
Version
v2
In Ch Ikey
BDUDECZOBBDZCJ-CQZGAYFHSA-N
Suppress
0
Num Hdonors
8
Drug Likeness
0.05
Num Hacceptors
10
Isomeric Smiles
CC1=C[C@@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=C(C=C(C=C5)O)O)O
Canonical Smiles
CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=C(C=C(C=C5)O)O)O
Herb Alias Names
CHEMBL570475BDBM50303005
Molecular Formula
C40H38O10
Molecular Formula
C40H38O10
Num Rotatable Bonds
9