Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19256
- Core Entity Id
- 24583
- Source Entity Count
- 1
- Preferred Name
- Flavopiridol
- Name En
- Pubchem Id
- 44297210
- Smiles Canonical
- CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
- Molecular Formula
- C21H20ClNO5
- Molecular Weight
- 401.8460
- Inchikey
- BIIVYFLTOXDAOV-YVEFUNNKSA-N
- Inchi
- InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
- Isomeric Smiles
- CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3046
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavopiridol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Flavopiridol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Flavopiridol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
146426-40-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
146426-40-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Alvocidib
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alvocidib
Role
alias
Source
HERB_v2
Preferred
No
Name
Alvocidib freebase
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alvocidib freebase
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavopiridol (Alvocidib)
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavopiridol (Alvocidib)
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMR 1274
Role
alias
Source
HERB_v2
Preferred
No
Name
HMR 1274
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMR-1275
Role
alias
Source
HERB_v2
Preferred
No
Name
HMR-1275
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-868275
Role
alias
Source
itcmdb_public
Preferred
No
Name
L86-8275
Role
alias
Source
HERB_v2
Preferred
No
Name
flavopiridol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
146426-40-6AlvocidibAlvocidib freebaseFlavopiridol (Alvocidib)HMR 1274HMR-1275L-868275L86-8275
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026567
Tcmid
33230
Tcm Id
1401314014140151401619068
Pub Chem
442972105287969
Tcmbank
TCMBANKIN000705
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
Mol Wt
401.846
Smiles
CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
Mol Log P
3.304600000000002
In Ch Ikey
BIIVYFLTOXDAOV-YVEFUNNKSA-N
Num Hdonors
3
Drug Likeness
0.61
Num Hacceptors
6
Isomeric Smiles
CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
Canonical Smiles
CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
Herb Alias Names
Alvocidib146426-40-6Alvocidib freebaseL86-8275L 868275L-868275Flavopiridol (Alvocidib)HMR-1275HMR 1274
Molecular Weight
401.8 g/mol
Molecular Formula
C21H20ClNO5
Molecular Formula
C21H20ClNO5
Num Rotatable Bonds
2