Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 9Ingredient: 1Meta-analysis: 3Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18778
- Core Entity Id
- 24050
- Source Entity Count
- 1
- Preferred Name
- Etoposide
- Name En
- Pubchem Id
- 36462
- Smiles Canonical
- CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
- Molecular Formula
- C29H32O13
- Molecular Weight
- 588.5620
- Inchikey
- VJJPUSNTGOMMGY-MRVIYFEKSA-N
- Inchi
- InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
- Isomeric Smiles
- C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3386
- Num H Donors
- 3
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Etoposide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Etoposide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
etoposide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Etoposide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Etoposide
Role
alias
Source
HERB_v2
Preferred
No
Name
33419-42-0
Role
alias
Source
HERB_v2
Preferred
No
Name
33419-42-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Etoposido
Role
alias
Source
itcmdb_public
Preferred
No
Name
Etoposido
Role
alias
Source
HERB_v2
Preferred
No
Name
Etoposidum
Role
alias
Source
HERB_v2
Preferred
No
Name
Etoposidum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lastet
Role
alias
Source
HERB_v2
Preferred
No
Name
Lastet
Role
alias
Source
itcmdb_public
Preferred
No
Name
Toposar
Role
alias
Source
HERB_v2
Preferred
No
Name
Toposar
Role
alias
Source
itcmdb_public
Preferred
No
Name
VP-16
Role
alias
Source
TCMBank
Preferred
No
Name
VePesid
Role
alias
Source
HERB_v2
Preferred
No
Name
VePesid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zuyeyidal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zuyeyidal
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Etoposide
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Etoposide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Etoposide33419-42-0EtoposidoEtoposidumLastetToposarVP-16VePesidZuyeyidaltrans-Etoposide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026006
Npass
NPC185498
Tcm Id
12870128711287212873
Pub Chem
36462
Tcmbank
TCMBANKIN016461
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
Mol Wt
588.5620000000005
Smiles
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
Mol Log P
1.338599999999999
In Ch Ikey
VJJPUSNTGOMMGY-MRVIYFEKSA-N
Num Hdonors
3
Drug Likeness
0.43
Num Hacceptors
13
Isomeric Smiles
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
Canonical Smiles
CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
Herb Alias Names
VePesid33419-42-0Toposartrans-Etoposide(-)-EtoposideLastetZuyeyidalEtoposidumEtoposido
Molecular Weight
588.6 g/mol
Molecular Formula
C29H32O13
Molecular Formula
C29H32O13
Num Rotatable Bonds
5