Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Reference: 2Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36473
- Core Entity Id
- 43734
- Source Entity Count
- 1
- Preferred Name
- Vindoline
- Name En
- Pubchem Id
- 129316872
- Smiles Canonical
- CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
- Molecular Formula
- C25H32N2O6
- Molecular Weight
- 456.5390
- Inchikey
- CXBGOBGJHGGWIE-ACSXSLCXSA-N
- Inchi
- InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1
- Isomeric Smiles
- CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 1.6413
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vindoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vindoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Vindoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
卵圆长春花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUAN YUAN CHANG CHUN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Oval Periwinkle*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Vindoline
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Vindoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
2182-14-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2182-14-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
571PJ1LW03
Role
alias
Source
HERB_v2
Preferred
No
Name
571PJ1LW03
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-91994
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC91994
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-571PJ1LW03
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-571PJ1LW03
Role
alias
Source
HERB_v2
Preferred
No
Name
VINDOLINE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
VINDOLINE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vindolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Vindolin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
卵圆长春花LUAN YUAN CHANG CHUN HUAOval Periwinkle*(-)-Vindoline2182-14-1571PJ1LW03NSC-91994NSC91994UNII-571PJ1LW03VINDOLINE [MI]Vindolin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047957
Npass
NPC127996
Tcmid
42995
Tcm Id
18024219
Pub Chem
129316872260535
Tcmbank
TCMBANKIN040785
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1
Mol Wt
456.5390000000002
Mol Log P
1.641299999999999
In Ch Ikey
CXBGOBGJHGGWIE-ACSXSLCXSA-N
Tcm Name
卵圆长春花
Tcm Name2
LUAN YUAN CHANG CHUN HUA
Mol2 Path
/TCM_database/2007_3d_all/22498.mol2
Reference
2, 658, 5508
Num Hdonors
1
Tcm Name En
Oval Periwinkle*
Drug Likeness
0.541
Num Hacceptors
8
Isomeric Smiles
CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
Canonical Smiles
CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
Herb Alias Names
Vindolin2182-14-1(-)-Vindoline571PJ1LW03NSC91994VINDOLINE [MI]NSC 91994NSC-91994UNII-571PJ1LW03
Molecular Weight
456.5 g/mol
Molecular Formula
C25H32N2O6
Num Rotatable Bonds
4