Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34838
- Core Entity Id
- 41911
- Source Entity Count
- 1
- Preferred Name
- Teniposide
- Name En
- Pubchem Id
- 452548
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O
- Molecular Formula
- C32H32O13S
- Molecular Weight
- 656.6620
- Inchikey
- NRUKOCRGYNPUPR-QBPJDGROSA-N
- Inchi
- InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7529
- Num H Donors
- 3
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Teniposide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Teniposide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
teniposide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
29767-20-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
29767-20-2
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-122819
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-122819
Role
alias
Source
HERB_v2
Preferred
No
Name
Teniposido
Role
alias
Source
itcmdb_public
Preferred
No
Name
Teniposido
Role
alias
Source
HERB_v2
Preferred
No
Name
Teniposido [INN-Spanish]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Teniposido [INN-Spanish]
Role
alias
Source
HERB_v2
Preferred
No
Name
Teniposidum [INN-Latin]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Teniposidum [INN-Latin]
Role
alias
Source
HERB_v2
Preferred
No
Name
VM-26
Role
alias
Source
HERB_v2
Preferred
No
Name
VM26
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vehem
Role
alias
Source
HERB_v2
Preferred
No
Name
Vehem
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vumon
Role
alias
Source
HERB_v2
Preferred
No
Name
Vumon
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
29767-20-2NSC-122819TeniposidoTeniposido [INN-Spanish]Teniposidum [INN-Latin]VM-26VM26VehemVumon
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045892
Npass
NPC473803
Tcm Id
1416314164
Pub Chem
452548
Tcmbank
TCMBANKIN019938
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
Mol Wt
656.6620000000005
Smiles
COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O
Mol Log P
2.752900000000001
In Ch Ikey
NRUKOCRGYNPUPR-QBPJDGROSA-N
Num Hdonors
3
Drug Likeness
0.333
Num Hacceptors
14
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O
Herb Alias Names
29767-20-2VumonVehemVM-26TeniposidoNSC-122819Teniposidum [INN-Latin]Teniposido [INN-Spanish]VM26
Molecular Weight
656.7 g/mol
Molecular Formula
C32H32O13S
Molecular Formula
C32H32O13S
Num Rotatable Bonds
6