Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21150
- Core Entity Id
- 26695
- Source Entity Count
- 1
- Preferred Name
- Helicia cerebroside a
- Name En
- Pubchem Id
- 102218066
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCC=CCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCC)O)O)O
- Molecular Formula
- C48H93NO10
- Molecular Weight
- 844.2690
- Inchikey
- KJNHIWUXQRJQQY-QVWSJUNLSA-N
- Inchi
- InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-14-12-10-8-6-4-2/h32,34,39-46,48,50-56H,3-31,33,35-38H2,1-2H3,(H,49,57)/b34-32+/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCC/C=C/C[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCC)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 8.4496
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 41
- Drug Likeness
- 0.0220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Helicia cerebroside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Helicia cerebroside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Helicia cerebroside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
深绿山龙眼
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHEN LU SHAN LONG YAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nilgiris Helicia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
深绿山龙眼SHEN LU SHAN LONG YANNilgiris Helicia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028947
Tcmid
9301
Pub Chem
102218066
Tcmbank
TCMBANKIN039446
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-14-12-10-8-6-4-2/h32,34,39-46,48,50-56H,3-31,33,35-38H2,1-2H3,(H,49,57)/b34-32+/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1
Mol Wt
844.2689999999998
Mol Log P
8.449600000000006
In Ch Ikey
KJNHIWUXQRJQQY-QVWSJUNLSA-N
Tcm Name
深绿山龙眼
Tcm Name2
SHEN LU SHAN LONG YAN
Mol2 Path
/TCM_database/2007_3d_all/09302.mol2
Reference
4843
Num Hdonors
8
Tcm Name En
Nilgiris Helicia
Drug Likeness
0.022
Num Hacceptors
10
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCC/C=C/C[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCC)O)O)O
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCC=CCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCC)O)O)O
Molecular Formula
C48H93NO10
Num Rotatable Bonds
41